(2S,4aS,4bR,7R,10aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,7-diol
Internal ID | 7f82d868-2ce8-469a-a8ac-9d16093900ae |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | (2S,4aS,4bR,7R,10aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,7-diol |
SMILES (Canonical) | CC(C)C1(CCC2C(=C1)CCC3C2(CCC(C3(C)C)O)C)O |
SMILES (Isomeric) | CC(C)[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@@H](C3(C)C)O)C)O |
InChI | InChI=1S/C20H34O2/c1-13(2)20(22)11-8-15-14(12-20)6-7-16-18(3,4)17(21)9-10-19(15,16)5/h12-13,15-17,21-22H,6-11H2,1-5H3/t15-,16-,17+,19+,20+/m1/s1 |
InChI Key | CRQODMULBKTSEN-JOMPHRNESA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H34O2 |
Molecular Weight | 306.50 g/mol |
Exact Mass | 306.255880323 g/mol |
Topological Polar Surface Area (TPSA) | 40.50 Ų |
XlogP | 4.00 |
There are no found synonyms. |
![2D Structure of (2S,4aS,4bR,7R,10aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,7-diol 2D Structure of (2S,4aS,4bR,7R,10aS)-1,1,4a-trimethyl-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6fc806b0-8612-11ee-9bfa-7b31bd4bb0c1.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.14% | 91.11% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.47% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.42% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.19% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.11% | 95.89% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.26% | 90.17% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.00% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.82% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.17% | 100.00% |
CHEMBL2581 | P07339 | Cathepsin D | 82.19% | 98.95% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.49% | 85.11% |
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.
Solidago missouriensis |
PubChem | 101974133 |
LOTUS | LTS0189092 |
wikiData | Q104968745 |