Summary

IMPPAT Phytochemical identifier: IMPHY002361

Phytochemical name: Piscrocin B

Synonymous chemical names:
piscrocin b

Chemical structure information

SMILES:
OC(=O)CC1c2cocc2C(C1O)O

InChI:
InChI=1S/C9H10O5/c10-7(11)1-4-5-2-14-3-6(5)9(13)8(4)12/h2-4,8-9,12-13H,1H2,(H,10,11)

InChIKey:
DTHUVZQMVMVXNB-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCccocc5CC8O))O

Functional groups:
CC(=O)O, CO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1occ2c1CCC2

Scaffold Graph/Node level:
C1CC2COCC2C1

Scaffold Graph level:
C1CC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.398

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Chemical structure download