TPCN00965

[object Object]
Name Santamarin;Santamarine
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 4290-13-5
SMILES C=C1C(=O)OC2C1CCC1(C)C(O)CC=C(C)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Tanacetum praeteritum Aerial parts 0.006122% Planta Med 62(5): 419-422.(1996) 10.1055/s-2006-957930
Olacaceae Lactuca canadensis Roots 0.002053% Phytochemistry 90: 90-94.(2013) 10.1016/j.phytochem.2013.02.005
Asteraceae Artemisia argyi Whole plants 0.000975% J Nat Prod 82(6): 1424-1433.(2019) 10.1021/acs.jnatprod.8b00791
Asteraceae Michelia floribunda Barks 0.000795% Pharm Res 7(12): 1269-1272.(1990) 10.1023/a:1015937921880
Asteraceae Saussurea lappa Roots 0.000560% J Nat Prod 66(9): 1175-1180.(2003) 10.1021/np030147e
Lauraceae Laurus nobilis Leaves 0.000248% Planta Med 71(8): 706-710.(2005) 10.1055/s-2005-864191
Asteraceae Saussurea lappa Roots 0.000159% Planta Med 64(7): 594-597.(1998) 10.1055/s-2006-957528
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.21
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3