Summary

IMPPAT Phytochemical identifier: IMPHY012377

Phytochemical name: 1,5-Dimethoxyphenanthrene-2,7-diol

Synonymous chemical names:
1,5-dimethoxyphenanthrene-2,7-diol

External chemical identifiers:
CID:158976

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Chemical structure information

SMILES:
COc1cc(O)cc2c1c1ccc(c(c1cc2)OC)O

InChI:
InChI=1S/C16H14O4/c1-19-14-8-10(17)7-9-3-4-12-11(15(9)14)5-6-13(18)16(12)20-2/h3-8,17-18H,1-2H3

InChIKey:
FEKWNIUACHRZJW-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6cccccc6cc%10)))OC)))O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)ccc1ccccc12

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: Phenanthrols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 1.471

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Chemical structure download