Summary

IMPPAT Phytochemical identifier: IMPHY004917

Phytochemical name: Acetylpterosin C

Synonymous chemical names:
acetylpterosins

External chemical identifiers:
CID:5316039, ChEBI:168987

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Chemical structure information

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

InChI:
InChI=1S/C16H20O4/c1-8-7-13-14(16(19)10(3)15(13)18)9(2)12(8)5-6-20-11(4)17/h7,10,15,18H,5-6H2,1-4H3

InChIKey:
KBPAOKSMUDDOIN-UHFFFAOYSA-N

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

Functional groups:
CO, COC(C)=O, 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: 1.965

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Chemical structure download