Summary

IMPPAT Phytochemical identifier: IMPHY005027

Phytochemical name: [4]-Gingerdiol 3,5-diacetate

Synonymous chemical names:
1-(4-hydroxy-3-methoxyphenyl)-3,5-diacetoxyoctane

External chemical identifiers:
CID:5318274, ChEBI:172578, MolPort-039-338-731

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Chemical structure information

SMILES:
CCCC(OC(=O)C)CC(OC(=O)C)CCc1ccc(c(c1)OC)O

InChI:
InChI=1S/C19H28O6/c1-5-6-16(24-13(2)20)12-17(25-14(3)21)9-7-15-8-10-18(22)19(11-15)23-4/h8,10-11,16-17,22H,5-7,9,12H2,1-4H3

InChIKey:
AUBPDZJRJKZQEX-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O)C)))CCOC=O)C)))CCcccccc6)OC)))O

Functional groups:
COC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP-Likeness score: 1.45

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Chemical structure download