Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018217

Phytochemical name: 4,6,6-Trimethyl-2-(3-methylbuta-1,3-dienyl)-3-oxatricyclo[5.1.0.02,4]octane

Synonymous chemical names:
4,6,6-Trimethyl-2-(3-methylbuta-1,3-dienyl)-3-oxatricyclo[5.1.0.02,4]octane

External chemical identifiers:
CID:CID_571933

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Chemical structure information

SMILES:
CC(=C)C=CC12OC2(C)CC(C2C1C2)(C)C

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

InChIKey:
JEWBTTPLZBTNTA-UHFFFAOYSA-N

DeepSMILES:
CC=C)C=CCOC3C)CCCC7C3)))C)C

Functional groups:
C=C(C)C=CC1(C)OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2OC2C2CC12

Scaffold Graph/Node level:
C1CC2OC2C2CC12

Scaffold Graph level:
C1CC2CC2C2CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.319

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Chemical structure download