(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aS,14bR)-4,4,6b,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-ol
| Internal ID | bdf7794e-0eac-4b77-a098-d8334aab1a2c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aS,14bR)-4,4,6b,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-ol |
| SMILES (Canonical) | CC1CCC2(CCC3(C4CCC5C(C(CCC5(C4CC=C3C2C1C)C)O)(C)C)C)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2(CC[C@]3([C@@H]4CC[C@@H]5[C@@]([C@H]4CC=C3[C@@H]2[C@H]1C)(CC[C@@H](C5(C)C)O)C)C)C |
| InChI | InChI=1S/C29H48O/c1-18-12-14-27(5)16-17-28(6)20-10-11-23-26(3,4)24(30)13-15-29(23,7)21(20)8-9-22(28)25(27)19(18)2/h9,18-21,23-25,30H,8,10-17H2,1-7H3/t18-,19+,20-,21+,23+,24+,25+,27-,28+,29-/m1/s1 |
| InChI Key | FECFVGBVIVEEFA-HCBSHMSMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O |
| Molecular Weight | 412.70 g/mol |
| Exact Mass | 412.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.55% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.68% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.44% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.83% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.59% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.80% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.36% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.08% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.86% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.40% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.87% | 85.30% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.44% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.43% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.52% | 94.75% |
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.
| Euphorbia hirta |
| PubChem | 162999661 |
| LOTUS | LTS0027944 |
| wikiData | Q104993914 |