Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001634

Phytochemical name: Dendrolasin

Synonymous chemical names:
dendrolasin, denderalasin, Dendrolasin

External chemical identifiers:
CID:CID_5316534, ChEBI:CHEBI:80721, ZINC:ZINC000005158581, SureChEMBL:SCHEMBL11886113

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Chemical structure information

SMILES:
C/C(=C\CCc1cocc1)/CCC=C(C)C

InChI:
InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+

InChIKey:
LZBXPXAOYQVZEC-RIYZIHGNSA-N

DeepSMILES:
C/C=C\CCccocc5))))))))/CCC=CC)C

Functional groups:
C/C=C(\C)C, coc, CC=C(C)C

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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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.375

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Chemical structure download