Summary

IMPPAT Phytochemical identifier: IMPHY002641

Phytochemical name: Imbricatin

Synonymous chemical names:
imbricatin

External chemical identifiers:
CID:14237636, ZINC:ZINC000031168289

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Chemical structure information

SMILES:
COc1c(O)cc2c3-c4c(OCc13)cc(cc4CC2)O

InChI:
InChI=1S/C16H14O4/c1-19-16-11-7-20-13-6-10(17)4-8-2-3-9(5-12(16)18)14(11)15(8)13/h4-6,17-18H,2-3,7H2,1H3

InChIKey:
GNUBOQVVIAMPSG-UHFFFAOYSA-N

DeepSMILES:
COccO)ccc-ccOCc%106)))cccc6CC%10))))O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c3c(c1)COc1cccc(c1-3)CC2

Scaffold Graph/Node level:
C1CC2CCC3CCCC4OCC(C1)C2C34

Scaffold Graph level:
C1CC2CCC3CCCC4CCC(C1)C2C34

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 1.782

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Chemical structure download