Summary

IMPPAT Phytochemical identifier: IMPHY004828

Phytochemical name: 7-Methoxy-9,10-dihydrophenanthrene-2,5-diol

Synonymous chemical names:
47-dihydroxy-2-methoxy-910-dihydrophenanthrene, lusianthridin

External chemical identifiers:
CID:442702, ChEMBL:CHEMBL254187, ChEBI:28678, ZINC:ZINC000000899126, SureChEMBL:SCHEMBL4743850, MolPort-005-945-468

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Chemical structure information

SMILES:
COc1cc(O)c2-c3ccc(cc3CCc2c1)O

InChI:
InChI=1S/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3

InChIKey:
RDKDIPDDUFMMMT-UHFFFAOYSA-N

DeepSMILES:
COcccO)c-cccccc6CCc%10c%14))))))O

Functional groups:
cO, cOC

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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: 1.322

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Chemical structure download