TPCN02489

Name Karacoline;Karacoline (5);Karakoline
Molecular Formula C22H35NO4
Molecular Weight 377.53
CAS Registry Number 39089-30-0
SMILES CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum vilmorinianum Roots 0.023333% Planta Med. 57(1991) 10.1055/s-2006-960089
Ranunculaceae Aconitum japonicum Subterraneous stems 0.000977% J Nat Med 72, 230-237 (2018). 10.1007/s11418-017-1139-9
Ranunculaceae Aconitum hemsleyanum Roots 0.000120% Nat Prod Res, 1-6 (2019). 10.1080/14786419.2018.1560292
Properties
HBA 5 HBD 3
HeavyAtoms 27 AlogP 1.25
TPSA 73.16 RotatableBonds 2
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6