Summary

IMPPAT Phytochemical identifier: IMPHY003478

Phytochemical name: Corossolone

Synonymous chemical names:
corossolone

External chemical identifiers:
CID:4366126

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Chemical structure information

SMILES:
CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(=O)CCCCCCCC1=CC(OC1=O)C)O)O

InChI:
InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,31-34,37-38H,3-26H2,1-2H3

InChIKey:
RVFWPTBBKKTQCR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCO5)CCCCCC=O)CCCCCCCC=CCOC5=O)))C))))))))))))))))O))))))O

Functional groups:
CC(C)=O, CC1=CCOC1=O, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCCCCCC1=CCOC1=O)CCCCCC1CCCO1

Scaffold Graph/Node level:
OC(CCCCCCCC1CCOC1O)CCCCCC1CCCO1

Scaffold Graph level:
CC(CCCCCCCC1CCCC1C)CCCCCC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Linear polyketides

NP Classifier Class: Acetogenins

NP-Likeness score: 1.748

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Chemical structure download