(6alpha)-Hydroxycampestanol
Internal ID | 5e377f60-5be2-469e-bc53-bb615ca22758 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
IUPAC Name | 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol |
SMILES (Canonical) | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C |
SMILES (Isomeric) | CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C |
InChI | InChI=1S/C28H50O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-26,29-30H,7-16H2,1-6H3 |
InChI Key | XOCKKQKIUYNBRG-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H50O2 |
Molecular Weight | 418.70 g/mol |
Exact Mass | 418.381080833 g/mol |
Topological Polar Surface Area (TPSA) | 40.50 Ų |
XlogP | 8.30 |
Q42403309 |
![2D Structure of (6alpha)-Hydroxycampestanol 2D Structure of (6alpha)-Hydroxycampestanol](https://plantaedb.com/storage/docs/compounds/2023/11/6alpha-hydroxycampestanol-542fa2b3828bc2a8a86c7ba36843ab97.jpg)
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.89% | 97.25% |
CHEMBL238 | Q01959 | Dopamine transporter | 93.30% | 95.88% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 93.13% | 95.93% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.62% | 90.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.83% | 97.09% |
CHEMBL237 | P41145 | Kappa opioid receptor | 89.50% | 98.10% |
CHEMBL233 | P35372 | Mu opioid receptor | 88.76% | 97.93% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.33% | 95.58% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.22% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.51% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.07% | 94.45% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.75% | 96.61% |
CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 82.89% | 92.78% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.12% | 82.69% |
CHEMBL1871 | P10275 | Androgen Receptor | 81.84% | 96.43% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.83% | 91.11% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.76% | 100.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.91% | 90.71% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.68% | 85.31% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.18% | 89.50% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.01% | 89.05% |
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.
Catharanthus roseus |
PubChem | 73229506 |
LOTUS | LTS0269554 |
wikiData | Q42403309 |