(4R,4aS,6aS,6aS,8aR,12aR,14aS,14bS)-4,4a,6a,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-one
| Internal ID | bd3e95d5-bd96-4954-84fd-c282b06c83c4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (4R,4aS,6aS,6aS,8aR,12aR,14aS,14bS)-4,4a,6a,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-one |
| SMILES (Canonical) | CC1C(=O)CCC2C1(CCC3C2(CCC4(C3=CCC5(C4CC(CC5)(C)C)C)C)C)C |
| SMILES (Isomeric) | C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C |
| InChI | InChI=1S/C29H46O/c1-19-22(30)8-9-23-27(19,5)13-11-21-20-10-12-26(4)15-14-25(2,3)18-24(26)29(20,7)17-16-28(21,23)6/h10,19,21,23-24H,8-9,11-18H2,1-7H3/t19-,21+,23+,24+,26-,27+,28+,29+/m0/s1 |
| InChI Key | BYIIAVUKGBEPKI-AQFZBKFZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H46O |
| Molecular Weight | 410.70 g/mol |
| Exact Mass | 410.354866087 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 8.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.91% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.09% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.50% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.25% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.54% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.25% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.03% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.24% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.18% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.12% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.07% | 90.17% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.11% | 94.78% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.37% | 96.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.05% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.04% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.42% | 95.89% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.18% | 86.67% |
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.
| Phyllanthus watsonii |
| PubChem | 162990618 |
| LOTUS | LTS0100616 |
| wikiData | Q104949348 |