Summary

IMPPAT Phytochemical identifier: IMPHY016504

Phytochemical name: Actinidiolide

Synonymous chemical names:
actinidiolide

External chemical identifiers:
CID:11062957, SureChEMBL:SCHEMBL6664621

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Chemical structure information

SMILES:
O=C1C=C2[C@@](O1)(C)C=CCC2(C)C

InChI:
InChI=1S/C11H14O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h4,6-7H,5H2,1-3H3/t11-/m1/s1

InChIKey:
VGQSMHFBCKKQHB-LLVKDONJSA-N

DeepSMILES:
O=CC=C[C@@]O5)C)C=CCC6C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCC=CC2O1

Scaffold Graph/Node level:
OC1CC2CCCCC2O1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Megastigmanes

NP-Likeness score: 3.222

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Chemical structure download