4a-(Hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol
| Internal ID | 63d2c391-3a22-4ffb-b193-2b3a014acf06 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 4a-(hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-2,10-diol |
| SMILES (Canonical) | CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1(C)O)CO)C)C)(C)C)O)C |
| SMILES (Isomeric) | CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1(C)O)CO)C)C)(C)C)O)C |
| InChI | InChI=1S/C30H52O3/c1-19-24-20-8-9-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,6)27(20,5)14-16-30(24,18-31)17-15-29(19,7)33/h19-24,31-33H,8-18H2,1-7H3 |
| InChI Key | DGQPJVLUXGVGSA-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 | 6.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 98.31% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.89% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.34% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.66% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.89% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.07% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.98% | 97.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.63% | 83.82% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.54% | 97.64% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.42% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.80% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.85% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.35% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.70% | 92.94% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.11% | 89.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.08% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.17% | 98.95% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.15% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.96% | 94.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.97% | 91.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.51% | 92.86% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 80.11% | 95.42% |
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.
| Dracocephalum forrestii |
| PubChem | 162866112 |
| LOTUS | LTS0090889 |
| wikiData | Q104979104 |