Summary

IMPPAT Phytochemical identifier: IMPHY016332

Phytochemical name: 2,6-Dimethyl-10-methylene-12-oxatricyclo[7.3.1.0(1,6)]tridec-2-ene

Synonymous chemical names:
2,6-dimethyl-10-methylene-12-oxatricyclo[7.3.1.0(1,6)]tridec-2-ene

External chemical identifiers:
CID:579073

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Chemical structure information

SMILES:
C=C1COC23CC1CCC3(C)CCC=C2C

InChI:
InChI=1S/C15H22O/c1-11-10-16-15-9-13(11)6-8-14(15,3)7-4-5-12(15)2/h5,13H,1,4,6-10H2,2-3H3

InChIKey:
VBXNDZXATCMJKH-UHFFFAOYSA-N

DeepSMILES:
C=CCOCCC6CCC6C)CCC=C%10C

Functional groups:
C=C(C)C, CC=C(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1COC23C=CCCC2CCC1C3

Scaffold Graph/Node level:
CC1COC23CCCCC2CCC1C3

Scaffold Graph level:
CC1CCC23CCCCC2CCC1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.021

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Chemical structure download