TPCN00011

Name Paeoniflorin
Molecular Formula C23H28O11
Molecular Weight 480.47
CAS Registry Number 23180-57-6
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia obovata Roots 0.183000% Chem Pharm Bull (Tokyo), 2000, 48, 201-207. 10.1248/cpb.48.201
Paeoniaceae Paeonia lactiflora Roots 0.064000% Fitoterapia, 2008, 79, 117-123. 10.1016/j.fitote.2007.11.001
Paeoniaceae Paeonia lactiflora Roots 0.064000% Arch Pharm Res, 2007, 30, 1179-1185. 10.1007/bf02980258
Paeoniaceae Paeonia delavayi Roots 0.006500% Fitoterapia, 2007, 78, 76-78. 10.1016/j.fitote.2006.09.014
Paeoniaceae Paeoniae radix Whole plants 0.005517% Fitoterapia, 2019, 138, 104290. 10.1016/j.fitote.2019.104290
Paeoniaceae Paeonia lactiflora Roots 0.001200% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Paeoniaceae Paeonia suffruticosa Barks 0.000445% Chem Pharm Bull (Tokyo), 2003, 51, 58-61. 10.1021/np400571x
Paeoniaceae Paeonia lactiflora Roots 0.000213% Fitoterapia, 2014, 98, 124-129. 10.1016/j.fitote.2014.07.017
Paeoniaceae Paeonia suffruticosa Roots 0.000180% Nat Prod Res, 2014, 28, 301-305. 10.1080/14786419.2013.858340
Properties
HBA 11 HBD 5
HeavyAtoms 34 AlogP -1.36
TPSA 164.37 RotatableBonds 6
FractionCSP3 0.70 Rings 8
AromaticRings 1 AliphaticRings 7