Summary

IMPPAT Phytochemical identifier: IMPHY009646

Phytochemical name: Pterosin F

Synonymous chemical names:
pterosin f

External chemical identifiers:
CID:134978, ChEBI:169882

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Chemical structure information

SMILES:
ClCCc1c(C)cc2c(c1C)C(=O)C(C2)C

InChI:
InChI=1S/C14H17ClO/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9H,4-5,7H2,1-3H3

InChIKey:
DFJCTWMNTSWCRI-UHFFFAOYSA-N

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

Functional groups:
CCl, 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: 1.67

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Chemical structure download