Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012932

Phytochemical name: Myristicanol A

Synonymous chemical names:
myristicanol a, Myristicanol A

External chemical identifiers:
CID:CID_131753104, ChEBI:CHEBI:176118

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Chemical structure information

SMILES:
OC/C=C\c1cc(OC)c(c(c1)OC)OC(C(c1cc(OC)c(c(c1)OC)OC)O)C

InChI:
InChI=1S/C23H30O8/c1-14(21(25)16-12-19(28-4)22(30-6)20(13-16)29-5)31-23-17(26-2)10-15(8-7-9-24)11-18(23)27-3/h7-8,10-14,21,24-25H,9H2,1-6H3/b8-7-

InChIKey:
QHYPOKHWZKVCEW-FPLPWBNLSA-N

DeepSMILES:
OC/C=C\cccOC))ccc6)OC)))OCCcccOC))ccc6)OC)))OC))))))O))C

Functional groups:
CO, c/C=C\C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCOc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCOC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 1.044

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Chemical structure download