Summary

IMPPAT Phytochemical identifier: IMPHY011005

Phytochemical name: 1,4-Dimethoxytriquinacene

Synonymous chemical names:
1,4-dimethoxytriquinacene

External chemical identifiers:
CID:101407799

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Chemical structure information

SMILES:
COC1=CC2C3C1C=CC3C(=C2)OC

InChI:
InChI=1S/C12H14O2/c1-13-10-5-7-6-11(14-2)9-4-3-8(10)12(7)9/h3-9,12H,1-2H3

InChIKey:
QINROAHZGAJCJJ-UHFFFAOYSA-N

DeepSMILES:
COC=CCCC5C=CC5C=C8)OC

Functional groups:
CC=C(C)OC, CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C=CC3C=CC1C23

Scaffold Graph/Node level:
C1CC2CCC3CCC1C23

Scaffold Graph level:
C1CC2CCC3CCC1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

NP-Likeness score: 1.081

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Chemical structure download