Summary

IMPPAT Phytochemical identifier: IMPHY012386

Phytochemical name: 1-Ipomeanol

Synonymous chemical names:
1-ipomeanol

External chemical identifiers:
CID:161819, ChEBI:173765, FDASRS:8V19Z051YG, SureChEMBL:SCHEMBL17393671

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Chemical structure information

SMILES:
CC(=O)CCC(c1cocc1)O

InChI:
InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-6,9,11H,2-3H2,1H3

InChIKey:
IGGLYMZTLQKWGT-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCCccocc5)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.632

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Chemical structure download