Summary

IMPPAT Phytochemical identifier: IMPHY001662

Phytochemical name: Chloranthalactone B

Synonymous chemical names:
chloranthalactone b

External chemical identifiers:
CID:15767607

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Chemical structure information

SMILES:
C=C1[C@H]2C[C@H]2[C@]2([C@H]1CC1=C(C)C(=O)O[C@@]31[C@H]2O3)C

InChI:
InChI=1S/C15H16O3/c1-6-8-4-11(8)14(3)9(6)5-10-7(2)12(16)17-15(10)13(14)18-15/h8-9,11,13H,1,4-5H2,2-3H3/t8-,9+,11-,13+,14-,15-/m1/s1

InChIKey:
ZKAVFYQAEVFXTE-NRLMIDHWSA-N

DeepSMILES:
C=C[C@H]C[C@H]3[C@][C@H]6CC=CC)C=O)O[C@]5[C@H]9O3)))))))))C

Functional groups:
C=C(C)C, CC1=C(C)[C@@]2(OC1=O)O[C@H]2C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CC2C2C1CC1=CC(=O)OC13OC23

Scaffold Graph/Node level:
CC1C2CC2C2C1CC1CC(O)OC13OC23

Scaffold Graph level:
CC1CC2CC3C(C)C4CC4C3C3CC23C1

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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: Cycloeudesmane sesquiterpenoids

NP-Likeness score: 3.51

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Chemical structure download