Summary

IMPPAT Phytochemical identifier: IMPHY007809

Phytochemical name: Coleon A

Synonymous chemical names:
coleon a

External chemical identifiers:
CID:121572

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Chemical structure information

SMILES:
C=CCC1(C)C(O)Oc2c1c(C)c1c(c2O)C(=C(C(=O)C1=O)C(C)C)O

InChI:
InChI=1S/C20H22O6/c1-6-7-20(5)13-9(4)11-12(17(24)18(13)26-19(20)25)14(21)10(8(2)3)15(22)16(11)23/h6,8,19,21,24-25H,1,7H2,2-5H3

InChIKey:
KGPUDFRSRWIMAU-UHFFFAOYSA-N

DeepSMILES:
C=CCCC)CO)Occ5cC)ccc6O))C=CC=O)C6=O)))CC)C)))O

Functional groups:
C=CC, CC1=C(O)ccC(=O)C1=O, cO, cOC(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2cc3c(cc2C1=O)CCO3

Scaffold Graph/Node level:
OC1CCC2CC3OCCC3CC2C1O

Scaffold Graph level:
CC1CCC2CC3CCCC3CC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Secoabietane diterpenoids

NP-Likeness score: 1.737

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Chemical structure download