Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012933

Phytochemical name: Myristicanol B

Synonymous chemical names:
myristicanol b, Myristicanol B

External chemical identifiers:
CID:CID_131753105, ChEBI:CHEBI:175237

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Chemical structure information

SMILES:
OC/C=C\c1cc(OC)c(c(c1)OC)OC(C(c1ccc(c(c1)OC)OC)O)C

InChI:
InChI=1S/C22H28O7/c1-14(21(24)16-8-9-17(25-2)18(13-16)26-3)29-22-19(27-4)11-15(7-6-10-23)12-20(22)28-5/h6-9,11-14,21,23-24H,10H2,1-5H3/b7-6-

InChIKey:
JTUBQGXAXOEMNN-SREVYHEPSA-N

DeepSMILES:
OC/C=C\cccOC))ccc6)OC)))OCCcccccc6)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: 1.027

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Chemical structure download