Summary

IMPPAT Phytochemical identifier: IMPHY007771

Phytochemical name: Chloranthalactone A

Synonymous chemical names:
chloranthalactone a

External chemical identifiers:
CID:333361, ChEMBL:CHEMBL468809

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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)OC1=C2)C

InChI:
InChI=1S/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3/t9-,11+,12-,15-/m1/s1

InChIKey:
OVEQSZKTJIUNHZ-JDTTZNEISA-N

DeepSMILES:
C=C[C@H]C[C@H]3[C@][C@H]6CC=CC)C=O)OC5=C9))))))))C

Functional groups:
C=C(C)C, CC1=C(C)C(=CC)OC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CC3=CC(=O)OC3=CC2C2CC12

Scaffold Graph/Node level:
CC1C2CC3CC(O)OC3CC2C2CC12

Scaffold Graph level:
CC1CC2CC3C(C)C4CC4C3CC2C1

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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: Sesquiterpenoids

NP Classifier Class: Cycloeudesmane sesquiterpenoids

NP-Likeness score: 3.551

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Chemical structure download