2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carbaldehyde
Internal ID | abcf4851-788a-4d4b-9b61-99e728e8a32c |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carbaldehyde |
SMILES (Canonical) | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C=O)C |
SMILES (Isomeric) | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C=O)C |
InChI | InChI=1S/C30H46O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-23H,9-18H2,1-7H3 |
InChI Key | QGPIUZIWMRUUCS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H46O2 |
Molecular Weight | 438.70 g/mol |
Exact Mass | 438.349780706 g/mol |
Topological Polar Surface Area (TPSA) | 34.10 Ų |
XlogP | 7.10 |
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 | 94.38% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.67% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.11% | 100.00% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.73% | 94.75% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.25% | 97.09% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.02% | 82.69% |
CHEMBL2581 | P07339 | Cathepsin D | 85.30% | 98.95% |
CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 83.22% | 90.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.00% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.33% | 94.45% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.19% | 95.38% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.72% | 93.00% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.24% | 92.98% |
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.
Curio talinoides |
Gardenia gummifera |
Pistacia terebinthus |
PubChem | 54227084 |
LOTUS | LTS0223884 |
wikiData | Q105220525 |