10-(4-acetylphenoxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Internal ID | 0fb85923-0597-41cb-a9b1-e228cd782e8e |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 10-(4-acetylphenoxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
SMILES (Canonical) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6=CC=C(C=C6)C(=O)C)C)C)C2C1C)C)C(=O)O |
SMILES (Isomeric) | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6=CC=C(C=C6)C(=O)C)C)C)C2C1C)C)C(=O)O |
InChI | InChI=1S/C38H54O4/c1-23-15-20-38(33(40)41)22-21-36(7)28(32(38)24(23)2)13-14-30-35(6)18-17-31(34(4,5)29(35)16-19-37(30,36)8)42-27-11-9-26(10-12-27)25(3)39/h9-13,23-24,29-32H,14-22H2,1-8H3,(H,40,41) |
InChI Key | CIAYHFKPPZTYHH-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C38H54O4 |
Molecular Weight | 574.80 g/mol |
Exact Mass | 574.40221020 g/mol |
Topological Polar Surface Area (TPSA) | 63.60 Ų |
XlogP | 9.40 |
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 |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.66% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.17% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.07% | 91.19% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.01% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.00% | 86.33% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.93% | 85.30% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.67% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.54% | 95.89% |
CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.58% | 94.97% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.81% | 90.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.22% | 90.17% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.78% | 93.99% |
CHEMBL2581 | P07339 | Cathepsin D | 81.67% | 98.95% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.22% | 92.94% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.55% | 93.00% |
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.
Nerium oleander |
PubChem | 162878603 |
LOTUS | LTS0002192 |
wikiData | Q104959559 |