> Alkaloids and derivatives / Daphniphylline-type alkaloids
|
(2S)-1-[(1S,4S,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-2-hydroxy-3-[(1R,2S,3R,7S,10R,13R,14S)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]propan-1-one
|
163105139 |
Click to see
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CC(C(=O)C6(COC7(CCC6O7)C)C)O)C
|
485.70 |
unknown |
https://doi.org/10.1021/NP0503449 |
[(2R)-1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]-1-oxopropan-2-yl] acetate
|
154496438 |
Click to see
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CC(C(=O)C6(COC7(CCC6O7)C)C)OC(=O)C)C
|
527.70 |
unknown |
https://doi.org/10.1021/NP0503449 |
1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]propan-1-one
|
101603218 |
Click to see
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC(=O)C6(COC7(CCC6O7)C)C)C
|
469.70 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
Codaphniphylline
|
12303733 |
Click to see
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC(=O)C6(COC7(CCC6O7)C)C)C
|
469.70 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
> Alkaloids and derivatives / Yuzurimine-type alkaloids
|
2,6-Dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylic acid
|
72986107 |
Click to see
CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C2CC1C6=O)C)C(=O)O
|
355.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 https://doi.org/10.1021/NP0503449 |
Daphnilongeranin C
|
11501289 |
Click to see
CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C2CC1C6=O)C)C(=O)O
|
355.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 https://doi.org/10.1021/NP0503449 |
Daphniyunnine A
|
76763789 |
Click to see
CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C2CC1C6=O)C)C(=O)OC
|
369.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 https://doi.org/10.1002/HLCA.200690249 |
methyl (1R,2R,3R,5R,6S,10S,16R,17R)-2-(hydroxymethyl)-6-methyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylate
|
162932529 |
Click to see
CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C2CC1C6=O)CO)C(=O)OC
|
385.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
Methyl 2-(hydroxymethyl)-6-methyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylate
|
162932528 |
Click to see
CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C2CC1C6=O)CO)C(=O)OC
|
385.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
Methyl 2,6-dimethyl-20-oxo-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-17-carboxylate
|
72994110 |
Click to see
CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C2CC1C6=O)C)C(=O)OC
|
369.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 https://doi.org/10.1002/HLCA.200690249 |
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Azulenes
|
(12S,16S,17R,19R,20S)-22-hydroxy-16,20-dimethyl-4-oxa-14-azahexacyclo[15.4.1.02,7.08,21.012,20.014,19]docosa-1(22),2(7),8(21)-triene-3,9-dione
|
54720923 |
Click to see
CC1CN2CC3CCC(=O)C4=C5C3(C2CC1C(=C5C6=C4CCOC6=O)O)C
|
367.40 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
22-Hydroxy-16,20-dimethyl-4-oxa-14-azahexacyclo[15.4.1.02,7.08,21.012,20.014,19]docosa-1(22),2(7),8(21)-triene-3,9-dione
|
76184626 |
Click to see
CC1CN2CC3CCC(=O)C4=C5C3(C2CC1C(=C5C6=C4CCOC6=O)O)C
|
367.40 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(1'R,3R,5'S,11'R,12'R)-3'-methyl-6-propan-2-ylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylic acid
|
162966334 |
Click to see
CC(C)C1=CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)O)CN(C3)C
|
371.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
(1R,2'R,5S,11R,12R,15R)-2'-methoxy-3-methyl-2'-propan-2-ylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylic acid
|
163080291 |
Click to see
CC(C)C1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)O)CN(C3)C)OC
|
403.60 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
[(1S,2S,5S,7S,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13R,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
|
163051525 |
Click to see
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC6C7(CCC(C6(C(O7)O)C)OC(=O)C)C)C
|
513.80 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
2'-Methoxy-3-methyl-2'-propan-2-ylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylic acid
|
163080289 |
Click to see
CC(C)C1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)O)CN(C3)C)OC
|
403.60 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
3'-Methyl-6-propan-2-ylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylic acid
|
162966332 |
Click to see
CC(C)C1=CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)O)CN(C3)C
|
371.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
Daphmacropodine
|
137346000 |
Click to see
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC6C7(CCC(C6(C(O7)O)C)OC(=O)C)C)C
|
513.80 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
methyl (1R,2'R,5S,11R,12R,15R)-2'-hydroxy-3-methyl-2'-propan-2-ylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
|
101593046 |
Click to see
CC(C)C1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)O
|
403.60 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
methyl (1R,2'R,5S,11R,12R,15R)-2'-methoxy-3-methyl-2'-propan-2-ylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
|
163195555 |
Click to see
CC(C)C1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)OC
|
417.60 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
Methyl 2'-hydroxy-3-methyl-2'-propan-2-ylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
|
74007478 |
Click to see
CC(C)C1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)O
|
403.60 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
Methyl 2'-methoxy-3-methyl-2'-propan-2-ylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
|
162893374 |
Click to see
CC(C)C1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)OC
|
417.60 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
|
[(1S,2S,5S,8R)-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13R,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-7-oxo-6-oxabicyclo[3.2.1]octan-2-yl] acetate
|
162852162 |
Click to see
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC6C7(CCC(C6(C(=O)O7)C)OC(=O)C)C)C
|
511.70 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
[1,5-Dimethyl-8-[2-(1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl)ethyl]-7-oxo-6-oxabicyclo[3.2.1]octan-2-yl] acetate
|
131850693 |
Click to see
CC(C)C1CCC2(C3CCC45CCCC4C2(C1N5C3)CCC6C7(CCC(C6(C(=O)O7)C)OC(=O)C)C)C
|
511.70 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
> Organoheterocyclic compounds / Azaspirodecane derivatives
|
methyl (1'R,3R,5'S,11'R,12'R)-6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate
|
162892533 |
Click to see
CCC1=CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C
|
371.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
methyl (1R,2'S,5S,11R,12R,15R)-2'-ethyl-2'-hydroxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
|
162974595 |
Click to see
CCC1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)O
|
389.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
methyl (1R,2'S,5S,11R,12R,15R)-2'-ethyl-2'-methoxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
|
162946387 |
Click to see
CCC1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)OC
|
403.60 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
Methyl 2'-ethyl-2'-hydroxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
|
162974594 |
Click to see
CCC1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)O
|
389.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
Methyl 2'-ethyl-2'-methoxy-3-methylspiro[3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene-15,5'-oxane]-12-carboxylate
|
162946384 |
Click to see
CCC1(CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C)OC
|
403.60 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
Methyl 6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate
|
56657365 |
Click to see
CCC1=CCC2(CO1)C3CCC4=C5C2(CC(C5CC4)C(=O)OC)CN(C3)C
|
371.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
> Organoheterocyclic compounds / Indoles and derivatives
|
methyl (1R,4S,5S,8R,9S,10S)-5,9-dimethyl-3-oxo-7-azahexacyclo[11.5.1.17,10.01,9.04,8.016,19]icosa-13(19),16-diene-17-carboxylate
|
163049940 |
Click to see
CC1CN2CC3CCC4=C5C(=C(CC56C3(C2C1C(=O)C6)C)C(=O)OC)CC4
|
367.50 |
unknown |
https://doi.org/10.1021/NP0503449 |
> Organoheterocyclic compounds / Indolizidines
|
(1R,2S,3R,5R,6S,10S,16R,19R)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13-ene-15,20-dione
|
162917875 |
Click to see
CC1CN2CC3CCC4=CC(=O)C5C4C6(C3(C2CC1C6=O)C)CC5
|
325.40 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
(1S,2S,3R,5R,6S,10S,13S)-13-methoxy-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-16(19)-ene-15,20-dione
|
163025026 |
Click to see
CC1CN2CC3CCC4(CC(=O)C5=C4C6(C3(C2CC1C6=O)C)CC5)OC
|
355.50 |
unknown |
https://doi.org/10.1002/HLCA.200800358 |
(1S,2S,3R,5R,6S,10S,16S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione
|
163004161 |
Click to see
CC1CN2CC3CCC4=C5C(CCC56C3(C2CC1C6=O)C)CC4=O
|
325.40 |
unknown |
https://doi.org/10.1021/NP0503449 |
(1S,9S,13S,14R,16R,17S)-4-ethenyl-13,17-dimethyl-11-azapentacyclo[12.3.1.01,5.09,17.011,16]octadec-4-ene-6,18-dione
|
162888074 |
Click to see
CC1CN2CC3CCC(=O)C4=C(CCC45C3(C2CC1C5=O)C)C=C
|
325.40 |
unknown |
https://doi.org/10.1002/HLCA.200800358 |
13-Methoxy-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-16(19)-ene-15,20-dione
|
163025025 |
Click to see
CC1CN2CC3CCC4(CC(=O)C5=C4C6(C3(C2CC1C6=O)C)CC5)OC
|
355.50 |
unknown |
https://doi.org/10.1002/HLCA.200800358 |
16-Hydroxy-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione
|
72999195 |
Click to see
CC1CN2CC3CCC4=C5C(CCC56C3(C2CC1C6=O)C)(CC4=O)O
|
341.40 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
2,6-Dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13-ene-15,20-dione
|
73033308 |
Click to see
CC1CN2CC3CCC4=CC(=O)C5C4C6(C3(C2CC1C6=O)C)CC5
|
325.40 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
2,6-Dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-13(19)-ene-14,20-dione
|
73040594 |
Click to see
CC1CN2CC3CCC4=C5C(CCC56C3(C2CC1C6=O)C)CC4=O
|
325.40 |
unknown |
https://doi.org/10.1021/NP0503449 |
3-[(2R,3R,8R,11S,12R,15S,16R)-15-hydroxy-12-(hydroxymethyl)-16-methyl-1-azapentacyclo[9.6.1.02,15.03,12.04,8]octadec-4-en-3-yl]propanoic acid
|
162999404 |
Click to see
CC1CN2CC3CCC4CCC=C4C5(C2C1(CCC35CO)O)CCC(=O)O
|
375.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
3-[15-Hydroxy-12-(hydroxymethyl)-16-methyl-1-azapentacyclo[9.6.1.02,15.03,12.04,8]octadec-4-en-3-yl]propanoic acid
|
85140707 |
Click to see
CC1CN2CC3CCC4CCC=C4C5(C2C1(CCC35CO)O)CCC(=O)O
|
375.50 |
unknown |
https://doi.org/10.1002/HLCA.201000170 |
4-Ethenyl-13,17-dimethyl-11-azapentacyclo[12.3.1.01,5.09,17.011,16]octadec-4-ene-6,18-dione
|
162888073 |
Click to see
CC1CN2CC3CCC(=O)C4=C(CCC45C3(C2CC1C5=O)C)C=C
|
325.40 |
unknown |
https://doi.org/10.1002/HLCA.200800358 |
daphnilongeranins B
|
11645544 |
Click to see
CC1CN2CC3CCC4=C5C(CCC56C3(C2CC1C6=O)C)CC4=O
|
325.40 |
unknown |
https://doi.org/10.1021/NP0503449 |
Daphniyunnine B
|
11638745 |
Click to see
CC1CN2CC3CCC(=O)C4=C(CCC45C3(C2CC1C5=O)C)CCO
|
343.50 |
unknown |
https://doi.org/10.1021/NP060088F |
Daphniyunnine E
|
11537430 |
Click to see
CC1CN2CC3CCC4=C5C(CCC56C3(C2CC1C6=O)C)(CC4=O)O
|
341.40 |
unknown |
https://doi.org/10.1002/HLCA.200690249 |
methyl (1R,2S,3R,5R,6S,10S)-2,6-dimethyl-21-oxo-14-oxa-8-azahexacyclo[11.6.1.11,5.02,10.03,8.017,20]henicosa-13(20),17-diene-18-carboxylate
|
163106094 |
Click to see
CC1CN2CC3CCC4=C5C(=C(CC56C3(C2CC1C6=O)C)C(=O)OC)CCO4
|
383.50 |
unknown |
https://doi.org/10.1021/NP0503449 |
> Organoheterocyclic compounds / Quinolidines
|
(1S,6S,7R,10R,15R,18S,19R,22S)-6,18-dimethyl-5-oxa-16-azahexacyclo[14.5.1.01,6.07,15.010,14.019,22]docos-13-en-4-one
|
146014448 |
Click to see
CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C
|
341.50 |
unknown |
https://doi.org/10.1002/HLCA.200800358 |
(1S,6S,7S,10S,15R,18S,19R,22S)-6,18-dimethyl-5-oxa-16-azahexacyclo[14.5.1.01,6.07,15.010,14.019,22]docos-13-en-4-one
|
162923744 |
Click to see
CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C
|
341.50 |
unknown |
https://doi.org/10.1021/NP0503449 |
CID 5243215
|
5243215 |
Click to see
CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C
|
341.50 |
unknown |
https://doi.org/10.1021/NP0503449 https://doi.org/10.1002/HLCA.200800358 |
Deoxyisocalyciphylline B
|
10871574 |
Click to see
CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C
|
341.50 |
unknown |
https://doi.org/10.1021/NP0503449 |