Summary

IMPPAT Phytochemical identifier: IMPHY004718

Phytochemical name: Abrectorin

Synonymous chemical names:
abrectorin

External chemical identifiers:
CID:44257585, ZINC:ZINC000014757259

---

Chemical structure information

SMILES:
COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(c(c2)OC)O

InChI:
InChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)19)15-7-11(18)10-6-17(22-2)13(20)8-16(10)23-15/h3-8,19-20H,1-2H3

InChIKey:
VEBYYFUMPFKKJB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O)))ccc=O)cco6)cccc6)OC)))O

Functional groups:
c=O, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.844

---

Chemical structure download