(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 013d277f-ffc9-40a6-b6f1-21dda88343d0 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC(CCC(=C)C(C)CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| SMILES (Isomeric) | C[C@H](CCC(=C)[C@H](C)CO)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C |
| InChI | InChI=1S/C31H52O2/c1-20(22(3)18-32)8-9-21(2)23-12-14-29(7)25-11-10-24-27(4,5)26(33)13-15-30(24)19-31(25,30)17-16-28(23,29)6/h21-26,32-33H,1,8-19H2,2-7H3/t21-,22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1 |
| InChI Key | ONNNLYSDSXGHFE-CUIMAKJMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H52O2 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/194e86a0-841a-11ee-8476-3306081f135a.jpg "2D Structure of (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,6S)-7-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol")
| 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 | 98.13% | 97.25% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.92% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.54% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.16% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.42% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.77% | 98.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.37% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.83% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.90% | 83.82% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.83% | 97.64% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.00% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.84% | 93.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.45% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.39% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.37% | 97.79% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.47% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.30% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.26% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.11% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.21% | 98.05% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.11% | 92.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.90% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.72% | 98.75% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.67% | 96.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.06% | 94.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.55% | 91.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.11% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.79% | 93.56% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 80.68% | 95.42% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.03% | 99.17% |
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.
| Mangifera indica |
| PubChem | 124928655 |
| LOTUS | LTS0143707 |
| wikiData | Q105194974 |