NatID | 514 |
Common Name | 3β-,5β-dihidroxicóstico |
Molecular Formula | C15H22O4 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 266.152 g/mol |
Other names |
Smiles | C=C(C(=O)O)[C@H]1CC[C@]2(C)CC[C@@H](O)C(=C)[C@]2(O)C1 |
Inchi | InChI=1S/C15H22O4/c1-9(13(17)18)11-4-6-14(3)7-5-12(16)10(2)15(14,19)8-11/h11-12,16,19H,1-2,4-8H2,3H3,(H,17,18)/t11-,12+,14+,15+/m0/s1 |
Inchi Key | FCBNTAJEZHMKMS-CTHBEMJXSA-N |
3D Structure |
clogP | 1.88 |
TPSA | 77.76 |
HBD | 3 |
HBA | 3 |
Rotatable Bonds | 2 |
Aromatic Rings | 0 |
Heavy Atoms | 19 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 4 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9928 | Tessaria absinthioides | No | High | Kurina Sanz, M. B., Donadel, O. J., Rossomando, P. C., Tonn, C. E., & Guerreiro, E. (1997). Sesquiterpenes from Tessaria absinthioides. Phytochemistry, 44(5), 897–900. https://doi.org/10.1016/s0031-9422(96)00590-0 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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