Summary

IMPPAT Phytochemical identifier: IMPHY008097

Phytochemical name: Farinosin

Synonymous chemical names:
farinosin

External chemical identifiers:
CID:442240, ChEBI:4977

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Chemical structure information

SMILES:
O=C1C=C[C@]2([C@H](C1=C)C[C@H]1[C@@H](C2)OC(=O)[C@]1(C)O)C

InChI:
InChI=1S/C15H18O4/c1-8-9-6-10-12(19-13(17)15(10,3)18)7-14(9,2)5-4-11(8)16/h4-5,9-10,12,18H,1,6-7H2,2-3H3/t9-,10-,12+,14+,15+/m0/s1

InChIKey:
CYMAWWCMMZZOTB-KJMJJSJTSA-N

DeepSMILES:
O=CC=C[C@][C@H]C6=C))C[C@H][C@@H]C6)OC=O)[C@]5C)O))))))))C

Functional groups:
C=C1CCC=CC1=O, CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)C=CC2CC3OC(=O)CC3CC12

Scaffold Graph/Node level:
CC1C(O)CCC2CC3OC(O)CC3CC21

Scaffold Graph level:
CC1CC2CC3CCC(C)C(C)C3CC2C1

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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: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.571

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Chemical structure download