Summary

IMPPAT Phytochemical identifier: IMPHY017653

Phytochemical name: cis-Hydrindane

Synonymous chemical names:
cis-octahydro-1h-indene

External chemical identifiers:
CID:643587, ChEBI:49306, ZINC:ZINC000064624841, FDASRS:8SZ801C84W, SureChEMBL:SCHEMBL7178533

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Chemical structure information

SMILES:
C1CC[C@H]2[C@@H](C1)CCC2

InChI:
InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+

InChIKey:
BNRNAKTVFSZAFA-DTORHVGOSA-N

DeepSMILES:
CCC[C@H][C@@H]C6)CCC5

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.458

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Chemical structure download