Summary

IMPPAT Phytochemical identifier: IMPHY014239

Phytochemical name: Blancoic acid

Synonymous chemical names:
blancoic acid

External chemical identifiers:
CID:12300170

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Chemical structure information

SMILES:
CCCCCC(c1c2OC(C)(C)C=Cc2c(c2c1OC(C)C(C2=O)C)O)CC(=O)O

InChI:
InChI=1S/C24H32O6/c1-6-7-8-9-15(12-17(25)26)18-22-16(10-11-24(4,5)30-22)21(28)19-20(27)13(2)14(3)29-23(18)19/h10-11,13-15,28H,6-9,12H2,1-5H3,(H,25,26)

InChIKey:
ZZCZMGFDYJQMIS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCccOCC)C)C=Cc6ccc%10OCC)CC6=O))C))))))O)))))))))CC=O)O

Functional groups:
CC(=O)O, cC(C)=O, cC=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCOc2cc3c(cc21)C=CCO3

Scaffold Graph/Node level:
OC1CCOC2CC3OCCCC3CC12

Scaffold Graph level:
CC1CCCC2CC3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 2.615

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Chemical structure download