Diincarvilone A
Internal ID | c34df076-66a0-4684-ac70-02a539b0ca31 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
IUPAC Name | (4S,4aR,5S,8R)-8-[(8S,8aR)-8,8a-dimethyl-4-oxo-1,6,7,8-tetrahydronaphthalen-2-yl]-5-hydroxy-5,8-bis(hydroxymethyl)-4,4a-dimethyl-2,3,4,6,7,10-hexahydroanthracen-9-one |
SMILES (Canonical) | CC1CCC=C2C1(CC(=CC2=O)C3(CCC(C4=C3C(=O)C5=CCCC(C5(C4)C)C)(CO)O)CO)C |
SMILES (Isomeric) | C[C@H]1CCC=C2[C@@]1(CC(=CC2=O)[C@@]3(CC[C@](C4=C3C(=O)C5=CCC[C@@H]([C@]5(C4)C)C)(CO)O)CO)C |
InChI | InChI=1S/C30H40O5/c1-18-7-5-9-21-24(33)13-20(14-27(18,21)3)29(16-31)11-12-30(35,17-32)23-15-28(4)19(2)8-6-10-22(28)26(34)25(23)29/h9-10,13,18-19,31-32,35H,5-8,11-12,14-17H2,1-4H3/t18-,19-,27+,28+,29+,30+/m0/s1 |
InChI Key | ZXTFCVATBJFEBU-XXAMNUPESA-N |
Popularity | 1 reference in papers |
Molecular Formula | C30H40O5 |
Molecular Weight | 480.60 g/mol |
Exact Mass | 480.28757437 g/mol |
Topological Polar Surface Area (TPSA) | 94.80 Ų |
XlogP | 3.20 |
CHEMBL2062966 |
![2D Structure of Diincarvilone A 2D Structure of Diincarvilone A](https://plantaedb.com/storage/docs/compounds/2023/11/diincarvilone-a.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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.30% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 94.21% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.21% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.51% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.54% | 95.56% |
CHEMBL1871 | P10275 | Androgen Receptor | 88.73% | 96.43% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.52% | 97.09% |
CHEMBL4072 | P07858 | Cathepsin B | 86.97% | 93.67% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.46% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.75% | 89.00% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.24% | 95.93% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.18% | 82.69% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.08% | 93.04% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.02% | 90.17% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.46% | 94.75% |
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.
Incarvillea diffusa |
PubChem | 60155322 |
LOTUS | LTS0021474 |
wikiData | Q105385762 |