Summary

IMPPAT Phytochemical identifier: IMPHY000751

Phytochemical name: Egonol

Synonymous chemical names:
egonol

External chemical identifiers:
CID:485186, ChEMBL:CHEMBL470981, ChEBI:69558, ZINC:ZINC000006483721, SureChEMBL:SCHEMBL4183989

---

Chemical structure information

SMILES:
OCCCc1cc2cc(oc2c(c1)OC)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3

InChIKey:
VOLZBKQSLGCZGC-UHFFFAOYSA-N

DeepSMILES:
OCCCcccccoc5cc9)OC)))))cccccc6)OCO5

Functional groups:
CO, c1cOCO1, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1

Scaffold Graph/Node level:
C1CCC2OC(C3CCC4OCOC4C3)CC2C1

Scaffold Graph level:
C1CC2CCC(C3CC4CCCCC4C3)CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 0.688

---

Chemical structure download