9-hydroxy-5,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid
| Internal ID | ca2ebf82-3d32-48c8-bcd4-395955d4265a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | 9-hydroxy-5,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid |
| SMILES (Canonical) | CC1CC2(CCC(C2C3C1C4(CCC5C(C4CC3)(CCC(C5(C)C(=O)O)O)C)C)C(=C)C)C(=O)O |
| SMILES (Isomeric) | CC1CC2(CCC(C2C3C1C4(CCC5C(C4CC3)(CCC(C5(C)C(=O)O)O)C)C)C(=C)C)C(=O)O |
| InChI | InChI=1S/C30H46O5/c1-16(2)18-9-14-30(26(34)35)15-17(3)23-19(24(18)30)7-8-20-27(4)13-11-22(31)29(6,25(32)33)21(27)10-12-28(20,23)5/h17-24,31H,1,7-15H2,2-6H3,(H,32,33)(H,34,35) |
| InChI Key | LZRAEABBGSAANR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.70 g/mol |
| Exact Mass | 486.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 7.30 |
| There are no found synonyms. |
![2D Structure of 9-hydroxy-5,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/a0783b00-85ac-11ee-a1a4-6f8cde60c7e7.jpg "2D Structure of 9-hydroxy-5,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a,8-dicarboxylic acid")
| 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 | 94.79% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.74% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.63% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.11% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.91% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.44% | 97.25% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 84.42% | 95.42% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.23% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.93% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.88% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.11% | 98.95% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.15% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.94% | 91.11% |
| CHEMBL5028 | O14672 | ADAM10 | 80.38% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 163043023 |
| LOTUS | LTS0232081 |
| wikiData | Q105160086 |