Summary

IMPPAT Phytochemical identifier: IMPHY013155

Phytochemical name: Fragransol C

Synonymous chemical names:
fragransol c

External chemical identifiers:
CID:14018335, ChEBI:175581

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Chemical structure information

SMILES:
OC/C=C/c1cc2c(c(c1)OC)OC(C2C)c1ccc(c(c1)OC)OC

InChI:
InChI=1S/C21H24O5/c1-13-16-10-14(6-5-9-22)11-19(25-4)21(16)26-20(13)15-7-8-17(23-2)18(12-15)24-3/h5-8,10-13,20,22H,9H2,1-4H3/b6-5+

InChIKey:
JRYJEMVPVZEOPW-AATRIKPKSA-N

DeepSMILES:
OC/C=C/cccccc6)OC)))OCC5C))cccccc6)OC)))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2Cc3ccccc3O2)cc1

Scaffold Graph/Node level:
C1CCC(C2CC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 1.644

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Chemical structure download