NatID | 1360 |
Common Name | NatID_1360 |
Molecular Formula | C30H52O4 |
Chemical Class | Prenol lipids > Terpene glycosides |
Molecular Weight | 476.387 g/mol |
Other names | 141979-08-0 |
Smiles | CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 |
Inchi | InChI=1S/C30H52O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24-,27-,28+,29+,30-/m0/s1 |
Inchi Key | DOAJFZJEGHSYOI-BVGXOPESSA-N |
3D Structure |
clogP | 5.71 |
TPSA | 69.92 |
HBD | 3 |
HBA | 4 |
Rotatable Bonds | 2 |
Aromatic Rings | 0 |
Heavy Atoms | 34 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 4 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9740 | Ibicella lutea | No | Very High | Simirgiotis, M. J., Jiménez, C., Rodríguez, J., Giordano, O. S., & Tonn, C. E. (2003). New Dammarane Triterpenes from the Aerial Parts of Ibicella lutea Grown in Argentina. Journal of Natural Products, 66(12), 1586–1592. https://doi.org/10.1021/np030273i |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
Loading... |