Summary

IMPPAT Phytochemical identifier: IMPHY013678

Phytochemical name: 2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran

Synonymous chemical names:
2,3-dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)-benzofuran

External chemical identifiers:
CID:131751072, ChEBI:175555

---

Chemical structure information

SMILES:
C/C=Cc1cc(OC)c2c(c1)C(C)C(O2)c1cc(OC)c2c(c1)OCO2

InChI:
InChI=1S/C21H22O5/c1-5-6-13-7-15-12(2)19(26-20(15)16(8-13)22-3)14-9-17(23-4)21-18(10-14)24-11-25-21/h5-10,12,19H,11H2,1-4H3/b6-5-

InChIKey:
UIWUAELYQAENKN-WAYWQWQTSA-N

DeepSMILES:
C/C=CcccOC))ccc6)CC)CO5)cccOC))ccc6)OCO5

Functional groups:
c/C=CC, c1cOCO1, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC(c1ccc3c(c1)OCO3)O2

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: Minor lignans, Neolignans

NP-Likeness score: 1.602

---

Chemical structure download