Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002230

Phytochemical name: Galanganol b

Synonymous chemical names:
Galanganol B, galanganol b

External chemical identifiers:
CID:CID_11335585

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Chemical structure information

SMILES:
OC[C@@H]([C@@H](c1ccc(cc1)O)O)C/C=C/c1ccc(cc1)O

InChI:
InChI=1S/C18H20O4/c19-12-15(18(22)14-6-10-17(21)11-7-14)3-1-2-13-4-8-16(20)9-5-13/h1-2,4-11,15,18-22H,3,12H2/b2-1+/t15-,18+/m0/s1

InChIKey:
HPWAVLBKHKUIQJ-XRYBMZHVSA-N

DeepSMILES:
OC[C@@H][C@@H]cccccc6))O)))))O))C/C=C/cccccc6))O

Functional groups:
CO, cO, c/C=C/C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)CCCc1ccccc1

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: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: 1.221

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Chemical structure download