TPCN05090

Name N-methylanthranilic acid
Molecular Formula C38H57NO7
Molecular Weight 639.87
CAS Registry Number 413615-74-4
SMILES CNc1ccccc1C(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C2CC(C(O)C(C)(C)O)OC2O)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rutaceae Raulinoa echinata Aerial parts 0.000550% J Nat Prod 65, 562-565 (2002) 10.1021/np0103970
Properties
HBA 8 HBD 5
HeavyAtoms 46 AlogP 5.52
TPSA 128.48 RotatableBonds 6
FractionCSP3 0.82 Rings 7
AromaticRings 1 AliphaticRings 6