Summary

IMPPAT Phytochemical identifier: IMPHY012920

Phytochemical name: 2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis-

Synonymous chemical names:
cis-linalol oxide, cis-linalol-oxide, cis-linaloloxide, cis-linalool oxide, cis-linalool oxide (furanoid), cis-linalool oxide f, cis-linalooloxide, cis-lmalol oxide, cis‐linalool oxide, linalool oxide b, linalool oxide,cis-

External chemical identifiers:
CID:11116492, ZINC:ZINC000000391155, SureChEMBL:SCHEMBL11537314

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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-WPRPVWTQSA-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: Oxolanes

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