Summary

IMPPAT Phytochemical identifier: IMPHY009580

Phytochemical name: 9,10-Dihydrophenanthrene

Synonymous chemical names:
9,10-dihydrophenanthrene

External chemical identifiers:
CID:13058, ChEMBL:CHEMBL2407181, ZINC:ZINC000001689949, FDASRS:BRM9TU2F34, SureChEMBL:SCHEMBL155991, MolPort-001-762-094

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Chemical structure information

SMILES:
c1ccc2c(-c3ccccc3CC2)c1

InChI:
InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2

InChIKey:
XXPBFNVKTVJZKF-UHFFFAOYSA-N

DeepSMILES:
ccccc-cccccc6CC%10))))))))c6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCc1ccccc1-2

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Hydrophenanthrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: -0.1

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Chemical structure download