NatID | 584 |
Common Name | methyl oleanate |
Molecular Formula | C31H50O3 |
Chemical Class | Prenol lipids > Triterpenoids |
Molecular Weight | 470.376 g/mol |
Other names |
Smiles | COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |
Inchi | InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1 |
Inchi Key | BTXWOKJOAGWCSN-JBYJGCOVSA-N |
3D Structure |
clogP | 7.32 |
TPSA | 46.53 |
HBD | 1 |
HBA | 3 |
Rotatable Bonds | 1 |
Aromatic Rings | 0 |
Heavy Atoms | 34 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 3 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9788 | Mulguraea aspera | No | High |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
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