Summary

IMPPAT Phytochemical identifier: IMPHY009694

Phytochemical name: Shisofuran

Synonymous chemical names:
alpha-clausenan, shisofuran

External chemical identifiers:
CID:11804919, ZINC:ZINC000013399038

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Chemical structure information

SMILES:
CC(=C)/C=C/c1occc1C

InChI:
InChI=1S/C10H12O/c1-8(2)4-5-10-9(3)6-7-11-10/h4-7H,1H2,2-3H3/b5-4+

InChIKey:
MOVHCBLRKLLLQI-SNAWJCMRSA-N

DeepSMILES:
CC=C)/C=C/coccc5C

Functional groups:
c/C=C/C(=C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.467

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Chemical structure download