[(23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]methanol
Internal ID | 5147da06-f69d-4165-a7af-1157fadd49c0 |
Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
IUPAC Name | [(23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]methanol |
SMILES (Canonical) | CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)CO |
SMILES (Isomeric) | CN1[C@H](C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)CO |
InChI | InChI=1S/C21H17NO5/c1-22-15(8-23)19-12(4-5-16-21(19)27-10-24-16)13-3-2-11-6-17-18(26-9-25-17)7-14(11)20(13)22/h2-7,15,23H,8-10H2,1H3/t15-/m0/s1 |
InChI Key | SHJGPMXTRKMTHM-HNNXBMFYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H17NO5 |
Molecular Weight | 363.40 g/mol |
Exact Mass | 363.11067264 g/mol |
Topological Polar Surface Area (TPSA) | 60.40 Ų |
XlogP | 3.50 |
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 |
---|---|---|---|---|
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.58% | 96.77% |
CHEMBL2581 | P07339 | Cathepsin D | 95.44% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.50% | 96.09% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.20% | 89.62% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.89% | 92.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.39% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.04% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.03% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.79% | 95.56% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.65% | 90.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.22% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.31% | 94.73% |
CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.26% | 98.46% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.54% | 100.00% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.29% | 90.24% |
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.
Hylomecon japonica |
Sarcocapnos crassifolia |
PubChem | 163006966 |
LOTUS | LTS0055386 |
wikiData | Q105253000 |