NatID | 1356 |
Common Name | NatID_1356 |
Molecular Formula | C30H50O2 |
Chemical Class | Prenol lipids > Triterpenoids |
Molecular Weight | 442.381 g/mol |
Other names |
Smiles | C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@H]2O[C@]21C |
Inchi | InChI=1S/C30H50O2/c1-18-24-19-9-10-21-27(5)13-12-22(31)25(2,3)20(27)11-14-29(21,7)28(19,6)16-15-26(24,4)17-23-30(18,8)32-23/h18-24,31H,9-17H2,1-8H3/t18-,19-,20+,21-,22+,23-,24+,26+,27+,28-,29-,30+/m1/s1 |
Inchi Key | QMMPUVTYKLBJCT-HHKBIDDTSA-N |
3D Structure |
clogP | 7.24 |
TPSA | 32.76 |
HBD | 1 |
HBA | 2 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 32 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 2 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9730 | Nassauvia axillaris | No | Very High | Kotowicz, C., Catalán, C. A. N., Griffin, C. L., & Herz, W. (2005). Triterpenes and other constituents of Nassauvia axillaris. Biochemical Systematics and Ecology, 33(7), 737–742. https://doi.org/10.1016/j.bse.2004.12.008 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
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