3-(4,9,10,13-tetramethyl-3-propan-2-yl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl)propanoic acid
Internal ID | 72023ec4-f025-422d-b7d8-f4a83b903a11 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid acids |
IUPAC Name | 3-(4,9,10,13-tetramethyl-3-propan-2-yl-15-prop-1-en-2-yl-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl)propanoic acid |
SMILES (Canonical) | CC(C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC4(C3C(CC4)C(=C)C)C)C)C |
SMILES (Isomeric) | CC(C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC4(C3C(CC4)C(=C)C)C)C)C |
InChI | InChI=1S/C30H50O2/c1-19(2)21-11-14-27(5)17-18-29(7)23(26(21)27)9-10-24-28(6,15-13-25(31)32)22(20(3)4)12-16-30(24,29)8/h20-24,26H,1,9-18H2,2-8H3,(H,31,32) |
InChI Key | YFEMLOPURCNWND-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H50O2 |
Molecular Weight | 442.70 g/mol |
Exact Mass | 442.381080833 g/mol |
Topological Polar Surface Area (TPSA) | 37.30 Ų |
XlogP | 10.00 |
There are no found synonyms. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.34% | 96.38% |
CHEMBL2581 | P07339 | Cathepsin D | 96.90% | 98.95% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.78% | 97.25% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.15% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.67% | 96.61% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.28% | 83.82% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.51% | 96.09% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.24% | 96.47% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.04% | 100.00% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.07% | 97.50% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.88% | 93.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.29% | 91.19% |
CHEMBL233 | P35372 | Mu opioid receptor | 82.46% | 97.93% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.06% | 95.89% |
CHEMBL206 | P03372 | Estrogen receptor alpha | 81.14% | 97.64% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.01% | 96.95% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.53% | 90.17% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.22% | 82.50% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.17% | 82.69% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.03% | 91.11% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Phellodendron chinense var. glabriusculum |
Platypodium elegans |
Wrightia tinctoria |
PubChem | 74338889 |
LOTUS | LTS0261989 |
wikiData | Q105347541 |