TPCN02725

Name Scutehenanines A
Molecular Formula C26H31NO6
Molecular Weight 453.54
CAS Registry Number 1189052-10-5
SMILES CC1=CCCC2C1(C)C(O)C(OC(=O)c1cccnc1)C(C)(O)C2(C)C=CC1=CC(=O)OC1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Scutellaria barbata Whole plants 0.000337% J Nat Prod 72, 1793-1797 (2009). 10.1021/np900362z
Properties
HBA 7 HBD 2
HeavyAtoms 33 AlogP 3.14
TPSA 105.95 RotatableBonds 4
FractionCSP3 0.50 Rings 4
AromaticRings 1 AliphaticRings 3