Summary

IMPPAT Phytochemical identifier: IMPHY011187

Phytochemical name: (+)-trans-Myrtanol

Synonymous chemical names:
trans-myrtanol

External chemical identifiers:
CID:84880, ZINC:ZINC000005455624, FDASRS:YHK8Y852SC, SureChEMBL:SCHEMBL2466197

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Chemical structure information

SMILES:
OC[C@@H]1CC[C@@H]2C[C@H]1C2(C)C

InChI:
InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m0/s1

InChIKey:
LDWAIHWGMRVEFR-DJLDLDEBSA-N

DeepSMILES:
OC[C@@H]CC[C@@H]C[C@H]6C4C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: Pinane monoterpenoids

NP-Likeness score: 2.76

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Chemical structure download