NatID | 1384 |
Common Name | NatID_1384 |
Molecular Formula | C20H30O3 |
Chemical Class | Fatty Acyls > Fatty acids and conjugates |
Molecular Weight | 318.219 g/mol |
Other names |
Smiles | CC1=CCC2C(=CC(=O)CC2(C)C)[C@]1(C)CCC(C)CC(=O)O |
Inchi | InChI=1S/C20H30O3/c1-13(10-18(22)23)8-9-20(5)14(2)6-7-16-17(20)11-15(21)12-19(16,3)4/h6,11,13,16H,7-10,12H2,1-5H3,(H,22,23)/t13?,16?,20-/m1/s1 |
Inchi Key | QZOXFPXAAQSWEA-VRGJXPMKSA-N |
3D Structure |
clogP | 4.78 |
TPSA | 54.37 |
HBD | 1 |
HBA | 2 |
Rotatable Bonds | 5 |
Aromatic Rings | 0 |
Heavy Atoms | 23 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 3 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9883 | Ophryosporus charua | No | High | Favier, L. S., Nieto, M., Giordano, O. S., & Tonn, C. E. (1997). Diterpenoids and flavonoids from Ophryosporus charrua. Phytochemistry, 45(7), 1469–1474. https://doi.org/10.1016/s0031-9422(97)00147-7 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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