7-hydroxy-3b,6,9a-trimethyl-5,5a,9,9b,10,11-hexahydro-4H-naphtho[2,1-e][2]benzofuran-8-one
Internal ID | 6d2eff88-7f6e-46bd-a7e2-d8564d623754 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Isocopalane and spongiane diterpenoids |
IUPAC Name | 7-hydroxy-3b,6,9a-trimethyl-5,5a,9,9b,10,11-hexahydro-4H-naphtho[2,1-e][2]benzofuran-8-one |
SMILES (Canonical) | CC1=C(C(=O)CC2(C1CCC3(C2CCC4=COC=C43)C)C)O |
SMILES (Isomeric) | CC1=C(C(=O)CC2(C1CCC3(C2CCC4=COC=C43)C)C)O |
InChI | InChI=1S/C19H24O3/c1-11-13-6-7-18(2)14-10-22-9-12(14)4-5-16(18)19(13,3)8-15(20)17(11)21/h9-10,13,16,21H,4-8H2,1-3H3 |
InChI Key | ADTIOZCGXFZGDH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H24O3 |
Molecular Weight | 300.40 g/mol |
Exact Mass | 300.17254462 g/mol |
Topological Polar Surface Area (TPSA) | 50.40 Ų |
XlogP | 3.80 |
There are no found synonyms. |
![2D Structure of 7-hydroxy-3b,6,9a-trimethyl-5,5a,9,9b,10,11-hexahydro-4H-naphtho[2,1-e][2]benzofuran-8-one 2D Structure of 7-hydroxy-3b,6,9a-trimethyl-5,5a,9,9b,10,11-hexahydro-4H-naphtho[2,1-e][2]benzofuran-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-3b69a-trimethyl-55a99b1011-hexahydro-4h-naphtho21-e2benzofuran-8-one.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 | 97.34% | 91.11% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.64% | 93.04% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.27% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.62% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.95% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.92% | 92.94% |
CHEMBL2581 | P07339 | Cathepsin D | 86.47% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.02% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.75% | 99.23% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.23% | 97.25% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.58% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.00% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.97% | 89.00% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.76% | 85.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.64% | 94.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.19% | 93.99% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.07% | 93.40% |
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.
Fagopyrum esculentum |
Reseda odorata |
PubChem | 14781257 |
LOTUS | LTS0248856 |
wikiData | Q105144353 |