24-Nor-D:A-friedooleana-1(10),5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester
Internal ID | 525a0573-f458-46e1-9c3d-883bf8717964 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | methyl 10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate |
SMILES (Canonical) | CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O |
SMILES (Isomeric) | CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O |
InChI | InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3 |
InChI Key | JFACETXYABVHFD-UHFFFAOYSA-N |
Popularity | 2 references in papers |
Molecular Formula | C30H40O4 |
Molecular Weight | 464.60 g/mol |
Exact Mass | 464.29265975 g/mol |
Topological Polar Surface Area (TPSA) | 63.60 Ų |
XlogP | 6.30 |
jm5b01461, Compound 95 |
SCHEMBL17328930 |
BDBM429277 |
BCP22624 |
NSC99281 |
FT-0697494 |
24-Nor-D:A-friedooleana-1(10),5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester |
(9b,13a,14b,20a)-3-Hydroxy-9,13-dimethyl-2-oxo-24,25,26 -trinoroleana-1(10),3,5,7-tertraen-29-oic acid methyl ester |
D:A-Friedo-24-noroleana-1(10),5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20.alpha.)- |
![2D Structure of 24-Nor-D:A-friedooleana-1(10),5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester 2D Structure of 24-Nor-D:A-friedooleana-1(10),5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester](https://plantaedb.com/storage/docs/compounds/2023/11/24-nor-da-friedooleana-11057-tetraen-29-oic-acid-3-hydroxy-2-oxo-methyl-ester.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL1293229 | P22736 | Nuclear receptor subfamily 4 group A member 1 |
960 nM |
Kd |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.14% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.94% | 94.45% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 93.50% | 94.78% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.85% | 99.23% |
CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 89.03% | 95.52% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.94% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.87% | 95.56% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.81% | 91.07% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.70% | 93.03% |
CHEMBL2581 | P07339 | Cathepsin D | 84.82% | 98.95% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.67% | 94.75% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.48% | 91.19% |
CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 82.31% | 90.00% |
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.
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PubChem | 264268 |
LOTUS | LTS0195192 |
wikiData | Q105126542 |