(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
Internal ID | 7903e1a5-a91c-4f45-995a-e78216d6756e |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
IUPAC Name | (4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione |
SMILES (Canonical) | CC1(CCCC2(C1CCC3=C2C(=O)C=C(C3=O)OC)C)C |
SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CCC3=C2C(=O)C=C(C3=O)OC)(C)C |
InChI | InChI=1S/C18H24O3/c1-17(2)8-5-9-18(3)14(17)7-6-11-15(18)12(19)10-13(21-4)16(11)20/h10,14H,5-9H2,1-4H3/t14-,18-/m0/s1 |
InChI Key | FQDCBPCGOVUCFH-KSSFIOAISA-N |
Popularity | 1 reference in papers |
Molecular Formula | C18H24O3 |
Molecular Weight | 288.40 g/mol |
Exact Mass | 288.17254462 g/mol |
Topological Polar Surface Area (TPSA) | 43.40 Ų |
XlogP | 4.20 |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.87% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.64% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.40% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.30% | 95.56% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.95% | 93.99% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.04% | 100.00% |
CHEMBL2581 | P07339 | Cathepsin D | 89.91% | 98.95% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.59% | 96.38% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.23% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.85% | 97.09% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.38% | 94.75% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.84% | 95.89% |
CHEMBL1871 | P10275 | Androgen Receptor | 85.53% | 96.43% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.46% | 92.94% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.51% | 93.40% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.43% | 97.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.42% | 86.33% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.63% | 82.69% |
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.
Taiwania cryptomerioides |
PubChem | 10613356 |
LOTUS | LTS0075534 |
wikiData | Q104999550 |