CID 10246917
Internal ID | 5068536f-bd08-479e-8824-f033c4d501d0 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
IUPAC Name | (3S,5S,7S)-8-hydroxy-4,4,7-trimethyl-9-(2-methylpropanoyl)-3-prop-1-en-2-yltricyclo[5.3.1.01,5]undec-8-ene-10,11-dione |
SMILES (Canonical) | CC(C)C(=O)C1=C(C2(CC3C(C(CC3(C1=O)C2=O)C(=C)C)(C)C)C)O |
SMILES (Isomeric) | CC(C)C(=O)C1=C([C@@]2(C[C@H]3C([C@@H](CC3(C1=O)C2=O)C(=C)C)(C)C)C)O |
InChI | InChI=1S/C21H28O4/c1-10(2)12-8-21-13(19(12,5)6)9-20(7,18(21)25)16(23)14(17(21)24)15(22)11(3)4/h11-13,23H,1,8-9H2,2-7H3/t12-,13-,20-,21?/m0/s1 |
InChI Key | WBAVIIHCFULVRM-ZOOUNPMNSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H28O4 |
Molecular Weight | 344.40 g/mol |
Exact Mass | 344.19875937 g/mol |
Topological Polar Surface Area (TPSA) | 71.40 Ų |
XlogP | 4.50 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.99% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.90% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.09% | 85.14% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.49% | 96.47% |
CHEMBL2581 | P07339 | Cathepsin D | 87.13% | 98.95% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.45% | 94.75% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.19% | 91.19% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.88% | 82.69% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.33% | 94.45% |
CHEMBL204 | P00734 | Thrombin | 82.74% | 96.01% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.26% | 100.00% |
CHEMBL299 | P17252 | Protein kinase C alpha | 81.77% | 98.03% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.58% | 97.25% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.63% | 99.23% |
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.
Hypericum papuanum |
PubChem | 10246917 |
LOTUS | LTS0090521 |
wikiData | Q105300588 |