Summary

IMPPAT Phytochemical identifier: IMPHY002890

Phytochemical name: Coleon F

Synonymous chemical names:
coleon f

External chemical identifiers:
CID:2751747, ZINC:ZINC000068564884

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Chemical structure information

SMILES:
C=CCC1=C(O)C2=CC=C3[C@](C2=C(C1=O)O)(C)CC(=O)C(=C3C)C

InChI:
InChI=1S/C20H20O4/c1-5-6-13-17(22)12-7-8-14-10(2)11(3)15(21)9-20(14,4)16(12)19(24)18(13)23/h5,7-8,22,24H,1,6,9H2,2-4H3/t20-/m0/s1

InChIKey:
FNEVHOUTQVOENX-FQEVSTJZSA-N

DeepSMILES:
C=CCC=CO)C=CC=C[C@]C6=CC%10=O))O)))C)CC=O)C=C6C))C

Functional groups:
C=CC, CC1=C(C)C2=CC=C3C(O)=C(C)C(=O)C(O)=C3C2CC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2=CC=C3C=CC(=O)CC3C2=C1

Scaffold Graph/Node level:
OC1CCC2CCC3CCC(O)CC3C2C1

Scaffold Graph level:
CC1CCC2CCC3CCC(C)CC3C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Abeoabietane diterpenoids

NP-Likeness score: 2.064

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Chemical structure download