TPCN04193

Name Actein
Molecular Formula C37H56O11
Molecular Weight 676.84
CAS Registry Number 18642-44-9
SMILES CC(=O)OC1CC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OC(O)C1(C)OC41
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Cimicifuga yunnanensis Subterraneous stems 0.021739% Cancer Manag Res 10: 6715-6729. 10.2147/CMAR.S185387
Ranunculaceae Cimicifuga foetida Subterraneous stems 0.000338% Molecules. 2011 Jul 5;16(7):5701-8. 10.3390/molecules16075701.
Properties
HBA 11 HBD 4
HeavyAtoms 48 AlogP 3.03
TPSA 156.67 RotatableBonds 3
FractionCSP3 0.97 Rings 9
AromaticRings 0 AliphaticRings 9