Summary

IMPPAT Phytochemical identifier: IMPHY012356

Phytochemical name: Virolongin B

Synonymous chemical names:
virolongin b

External chemical identifiers:
CID:153910, ChEBI:175219, MolPort-046-153-177

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Chemical structure information

SMILES:
C=CCc1cc(OC)c(c(c1)OC)OC(Cc1cc(OC)c(c(c1)OC)OC)C

InChI:
InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8,11-15H,1,9-10H2,2-7H3

InChIKey:
ZOPUPXKPXCSWAE-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOC))ccc6)OC)))OCCcccOC))ccc6)OC)))OC)))))))C

Functional groups:
C=CC, 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: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Methoxybenzenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 0.654

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Chemical structure download