Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000713

Phytochemical name: trans-Linalool oxide

Synonymous chemical names:
trans-linalooloxide0.49, linalool oxide i(pyr.), trans-linalool oxide ( furanoid), linalool oxide (trans), trans-linalool oxide (furanoid form), trans-linalool oxide (furanoïd), trans-linalool oxide (furanoid)*, (e)-linalool oxyde*, trans-linalool oxide (furan), trans-linalool oxide (furan form), trans-linalool oxide (furanoidform), trans-linalol oxide furanoid, frans-linalol oxide, linalool oxide, trans, trans-linalool oxide+, linalool a oxide, linalool oxide trans, trans-linalool oxide (pyran), trans-linalool oxide (furanoid), trans-linalool oxide, trans-linalooloxide, trans-linalol oxide ( furanoid), trans-linalool-oxide*, trans-linalol oxide ( furan isomer), trans-linalol oxide (furanoide), tans-linalool oxide (furanoid), linalool oxide,trans-, linalol oxide ii (pyranoid), trans-linalool oxlde (furanoid), trans-linalol oxide, trans-linalool oxide*, trans-linalool oxide (furanoid fom), trans-linanol oxide, trans-linalool oxide**, trans-linalooloxide (furanoid), trans-linalool oxide acetate (pyr.), trans-linalol oxide (furanoid), t-linalool oxide, linalool oxide a, trans-linalool oxide (furaneol), trans-linalol oxide (furanoide)

External chemical identifiers:
CID:CID_6432254, ChEMBL:CHEMBL2252947, ZINC:ZINC000000391154, FDASRS:986J3104O2, SureChEMBL:SCHEMBL1116444

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Chemical structure information

SMILES:
C=C[C@]1(C)CC[C@H](O1)C(O)(C)C

InChI:
InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1

InChIKey:
BRHDDEIRQPDPMG-WCBMZHEXSA-N

DeepSMILES:
C=C[C@]C)CC[C@H]O5)CO)C)C

Functional groups:
C=CC, 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: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 3.614

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Chemical structure download