Summary

IMPPAT Phytochemical identifier: IMPHY014382

Phytochemical name: 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol

Synonymous chemical names:
2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene

External chemical identifiers:
CID:22753774, ChEBI:174259, ZINC:ZINC000014650922, SureChEMBL:SCHEMBL11505126

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Chemical structure information

SMILES:
Oc1cc(O)c2-c3cc(O)c(cc3CCc2c1)O

InChI:
InChI=1S/C14H12O4/c15-9-3-8-2-1-7-4-11(16)12(17)6-10(7)14(8)13(18)5-9/h3-6,15-18H,1-2H2

InChIKey:
NIGUICNPKCJLJQ-UHFFFAOYSA-N

DeepSMILES:
OcccO)c-cccO)ccc6CCc%10c%14))))))O

Functional groups:
cO

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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: 1.68

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Chemical structure download