Summary

IMPPAT Phytochemical identifier: IMPHY000021

Phytochemical name: Galanganal

Synonymous chemical names:
galanganal

External chemical identifiers:
CID:11254485, ZINC:ZINC000015250733

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Chemical structure information

SMILES:
O=C/C(=C/c1ccc(cc1)O)/C/C=C/c1ccc(cc1)O

InChI:
InChI=1S/C18H16O3/c19-13-16(12-15-6-10-18(21)11-7-15)3-1-2-14-4-8-17(20)9-5-14/h1-2,4-13,20-21H,3H2/b2-1+,16-12+

InChIKey:
JULGSMRIWAOCJV-WQTQKZEZSA-N

DeepSMILES:
O=C/C=C/cccccc6))O))))))/C/C=C/cccccc6))O

Functional groups:
c/C=C(C)C=O, c/C=C/C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)CC=Cc1ccccc1

Scaffold Graph/Node level:
C1CCC(CCCCCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamaldehydes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Diarylheptanoids

NP Classifier Class: Linear diarylheptanoids

NP-Likeness score: 0.773

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Chemical structure download