Summary

IMPPAT Phytochemical identifier: IMPHY013119

Phytochemical name: 8-Methoxy-6,7-methylenedioxycoumarin

Synonymous chemical names:
8-methoxy-6, 7-methylenedioxycoumarin, 8-methoxy-6,7-methylenedioxy coumarin

External chemical identifiers:
CID:13704005, ChEMBL:CHEMBL596030, ZINC:ZINC000014776358

---

Chemical structure information

SMILES:
COc1c2OCOc2cc2c1oc(=O)cc2

InChI:
InChI=1S/C11H8O5/c1-13-11-9-6(2-3-8(12)16-9)4-7-10(11)15-5-14-7/h2-4H,5H2,1H3

InChIKey:
GDJFGAQXNUYMPM-UHFFFAOYSA-N

DeepSMILES:
COccOCOc5ccc9oc=O)cc6

Functional groups:
c1cOCO1, c=O, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2cc3c(cc2o1)OCO3

Scaffold Graph/Node level:
OC1CCC2CC3OCOC3CC2O1

Scaffold Graph level:
CC1CCC2CC3CCCC3CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 1.299

---

Chemical structure download