8a-(Hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-2,3-diol
| Internal ID | 85717ba0-4cc0-4d0d-ab94-d2512f39e59d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-2,3-diol |
| SMILES (Canonical) | CC1C(C(CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)CO)C)C)C)C)O)O |
| SMILES (Isomeric) | CC1C(C(CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)CO)C)C)C)C)O)O |
| InChI | InChI=1S/C30H52O3/c1-19-24(33)20(32)16-22-26(19,4)9-8-21-27(22,5)11-12-29(7)23-17-25(2,3)10-14-30(23,18-31)15-13-28(21,29)6/h19-24,31-33H,8-18H2,1-7H3 |
| InChI Key | CYNMAFQVEXSZRH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O3 |
| Molecular Weight | 460.70 g/mol |
| Exact Mass | 460.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 7.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.94% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.23% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.19% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.66% | 95.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.06% | 82.69% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.77% | 97.64% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.47% | 100.00% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 84.81% | 95.52% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.35% | 89.05% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.73% | 98.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.45% | 95.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.48% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.37% | 94.45% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.26% | 86.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.21% | 95.89% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.14% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.94% | 97.79% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.84% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.63% | 96.38% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.94% | 95.17% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.76% | 92.98% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.62% | 91.03% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.56% | 95.92% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 80.27% | 90.00% |
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 | 14757932 |
| LOTUS | LTS0098332 |
| wikiData | Q104972430 |