Summary

IMPPAT Phytochemical identifier: IMPHY007509

Phytochemical name: 2,3-Methylenedioxynaphthalene

Synonymous chemical names:
2,3-methylenedioxynaphthalene

External chemical identifiers:
CID:97583, ZINC:ZINC000000395053, SureChEMBL:SCHEMBL1840582

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Chemical structure information

SMILES:
C1Oc2c(O1)cc1c(c2)cccc1

InChI:
InChI=1S/C11H8O2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-6H,7H2

InChIKey:
NWRWWWMEZJKVCS-UHFFFAOYSA-N

DeepSMILES:
COccO5)cccc6)cccc6

Functional groups:
c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2cc3c(cc2c1)OCO3

Scaffold Graph/Node level:
C1CCC2CC3OCOC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.038

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Chemical structure download