Summary

IMPPAT Phytochemical identifier: IMPHY001824

Phytochemical name: Chrycorin

Synonymous chemical names:
chrycorin

External chemical identifiers:
CID:11435957, ChEBI:174112

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Chemical structure information

SMILES:
O=C1CC2C(=C1c1cccs1)CCCO2

InChI:
InChI=1S/C12H12O2S/c13-9-7-10-8(3-1-5-14-10)12(9)11-4-2-6-15-11/h2,4,6,10H,1,3,5,7H2

InChIKey:
FCVWHDAKNZMSON-UHFFFAOYSA-N

DeepSMILES:
O=CCCC=C5ccccs5))))))CCCO6

Functional groups:
COC, cC1=C(C)CCC1=O, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2OCCCC2=C1c1cccs1

Scaffold Graph/Node level:
OC1CC2OCCCC2C1C1CCCS1

Scaffold Graph level:
CC1CC2CCCCC2C1C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP-Likeness score: -0.294

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Chemical structure download