Cosmosiin 6''-(E)-P-Coumarate

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL3597472
PubChem:	6439941
IUPAC:	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Standard InChI:	InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1
Standard InChI Key:	WPQRDUGBKUNFJW-ZZSHFKPLSA-N
SMILES:	O=C(OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O

Molecular propeties
AlogP:	2.02
Hydrogen bonds acceptors:	12
Hydrogen bonds donors:	6
Rotatable bonds:	7
Number of rings:	5
Molecular Weight:	578.14
Topological polar surface area:	192
Number of aromatic rings:	4
Fsp3:	0.2
Number of carbons:	30

Plant sources

Part of plant	Plant name	Ref.
Plant	Marrubium vulgare

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.