Summary

IMPPAT Phytochemical identifier: IMPHY004348

Phytochemical name: (10R,11R)-Pterosin L

Synonymous chemical names:
(10r,11r)-pterosin l

External chemical identifiers:
CID:5320788, ChEBI:174475

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Chemical structure information

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

InChI:
InChI=1S/C15H20O4/c1-8-6-11-12(9(2)10(8)4-5-16)14(19)15(3,7-17)13(11)18/h6,13,16-18H,4-5,7H2,1-3H3

InChIKey:
OOAFRMHKOSBPID-UHFFFAOYSA-N

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

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: 2.306

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Chemical structure download