4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
| Internal ID | 5137d3b9-9ee3-46f1-ade6-eac493fdd6c9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol |
| SMILES (Canonical) | CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)C)O)C)C)(C)C)O)C |
| SMILES (Isomeric) | CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)C)O)C)C)(C)C)O)C |
| InChI | InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h11,19-25,31-32H,9-10,12-17H2,1-8H3 |
| InChI Key | BNHIQKVOPNHQKO-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 7.50 |
| 20554-95-4 |
| Isoarnidendiol |
| Urs-20-ene-3,16-diol # |
| BNHIQKVOPNHQKO-UHFFFAOYSA-N |
| 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol |
| Urs-20-ene-3,16-diol, (3.beta.,16.alpha.,18.alpha.,19.alpha.)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.73% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.55% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.33% | 96.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.09% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.84% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.47% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.16% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.64% | 97.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.71% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.13% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.98% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.20% | 97.79% |
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.
| Arnica montana |
| Calendula officinalis |
| Cirsium palustre |
| PubChem | 634598 |
| LOTUS | LTS0137765 |
| wikiData | Q104938795 |