TPCN02237

Name Cryptoquinone
Molecular Formula C20H26O3
Molecular Weight 314.43
CAS Registry Number 440362-13-0
SMILES CC(C)C1=CC(=O)C2=C(C(=O)CC3C(C)(C)CCCC23C)C1=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Cupressaceae Cryptomeria japonica Barks 0.005667% Phytochemistry 61, 895-898 (2002). 10.1016/s0031-9422(02)00352-7
Properties
HBA 3 HBD 0
HeavyAtoms 23 AlogP 3.82
TPSA 51.21 RotatableBonds 1
FractionCSP3 0.65 Rings 3
AromaticRings 0 AliphaticRings 3