Summary

IMPPAT Phytochemical identifier: IMPHY002635

Phytochemical name: Flaccidin

Synonymous chemical names:
flaccidin

External chemical identifiers:
CID:14235431

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Chemical structure information

SMILES:
COc1cc2CCc3c4-c2c(c1O)COc4cc(c3)O

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

InChIKey:
WOGDWPQSZQNQRT-UHFFFAOYSA-N

DeepSMILES:
COcccCCcc-c6cc%10O))COc6ccc%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: 1.645

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Chemical structure download