Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018196

Phytochemical name: trans-Ascaridolglycol

Synonymous chemical names:
trans-Ascaridolglycol

External chemical identifiers:
CID:CID_6429171

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Chemical structure information

SMILES:
CC([C@@]1(O)CC[C@@](C=C1)(C)O)C

InChI:
InChI=1S/C10H18O2/c1-8(2)10(12)6-4-9(3,11)5-7-10/h4,6,8,11-12H,5,7H2,1-3H3/t9-,10-/m0/s1

InChIKey:
WHOYVNZMAORLBI-UWVGGRQHSA-N

DeepSMILES:
CC[C@@]O)CC[C@@]C=C6))C)O)))))C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Thujane monoterpenoids

NP-Likeness score: 2.911

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Chemical structure download