Summary

IMPPAT Phytochemical identifier: IMPHY008811

Phytochemical name: Pterosin Z

Synonymous chemical names:
pterosin z

External chemical identifiers:
CID:134977, ChEMBL:CHEMBL567819, ZINC:ZINC000006070275, SureChEMBL:SCHEMBL1742692, MolPort-035-706-519

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Chemical structure information

SMILES:
OCCc1c(C)cc2c(c1C)C(=O)C(C2)(C)C

InChI:
InChI=1S/C15H20O2/c1-9-7-11-8-15(3,4)14(17)13(11)10(2)12(9)5-6-16/h7,16H,5-6,8H2,1-4H3

InChIKey:
YKQBHPHKXJKKAB-UHFFFAOYSA-N

DeepSMILES:
OCCccC)cccc6C))C=O)CC5)C)C

Functional groups:
CO, cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCc2ccccc21

Scaffold Graph/Node level:
OC1CCC2CCCCC12

Scaffold Graph level:
CC1CCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

ClassyFire Subclass: Indanones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Illudalane sesquiterpenoids

NP-Likeness score: 1.715

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Chemical structure download