Summary

IMPPAT Phytochemical identifier: IMPHY003683

Phytochemical name: Cedronine

Synonymous chemical names:
cedronin

External chemical identifiers:
CID:183337

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Chemical structure information

SMILES:
O=C1C=C(C)C2C(C1O)(C)C1C(O)C3OC(=O)C4C1(C(C2)O)COC34C

InChI:
InChI=1S/C19H24O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,10-15,21-23H,5-6H2,1-3H3

InChIKey:
FNBJCARFLWAAPK-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC)CCC6O))C)CCO)COC=O)CC7CC%11)O))COC85C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CCC34COC5C(CC3C2C1)OC(=O)C54

Scaffold Graph/Node level:
OC1CCC2CCC34COC5C(CC3C2C1)OC(O)C54

Scaffold Graph level:
CC1CCC2CCC34CCC5C(CC(C)C53)CC4C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Quassinoids

NP-Likeness score: 4.014

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Chemical structure download