Summary

IMPPAT Phytochemical identifier: IMPHY001648

Phytochemical name: 2,7-Phenanthrenediol, 3,4-dimethoxy-

Synonymous chemical names:
nudol, nudol(2,7-dihydroxy-3,4-dimethoxyphenanthrene

External chemical identifiers:
CID:158975, ChEMBL:CHEMBL253983, SureChEMBL:SCHEMBL3971615, MolPort-047-585-506

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Chemical structure information

SMILES:
COc1c(O)cc2c(c1OC)c1ccc(cc1cc2)O

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

InChIKey:
JZIYNZGPIKGKQC-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6OC)))cccccc6cc%10))))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: 1.337

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Chemical structure download