Summary

IMPPAT Phytochemical identifier: IMPHY012809

Phytochemical name: (10S,11S)-Pterosin C

Synonymous chemical names:
pterosin c

External chemical identifiers:
CID:5320782, ChEBI:172475

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Chemical structure information

SMILES:
OCCc1c(C)cc2c(c1C)C(=O)C(C2O)C

InChI:
InChI=1S/C14H18O3/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,15-16H,4-5H2,1-3H3

InChIKey:
QQPCNRKHGFIVLH-UHFFFAOYSA-N

DeepSMILES:
OCCccC)cccc6C))C=O)CC5O))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: 2.161

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Chemical structure download