TPCN02739

Name 4'-hydroxyanopterine
Molecular Formula C31H43NO8
Molecular Weight 557.68
CAS Registry Number 1829585-52-5
SMILES C=C1CC23CC(O)C4(O)C5(C)CC(O)CC46C(C2C1C(OC(=O)C(C)=CC)C(OC(=O)C(C)=CCO)C36)N(C)C5
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Escalloniaceae Anopterus macleayanus Woods 0.000323% J Nat Prod 78, 2908-2916 (2015). 10.1021/acs.jnatprod.5b00509
Properties
HBA 9 HBD 4
HeavyAtoms 40 AlogP 1.49
TPSA 136.76 RotatableBonds 5
FractionCSP3 0.74 Rings 6
AromaticRings 0 AliphaticRings 6