Summary
IMPPAT Phytochemical identifier: IMPHY007155
Phytochemical name: Terpin
Synonymous chemical names:1,8-terpin, 1,8-terpin (isomer of above), p-menthane-1,8-diol
External chemical identifiers:CID:6651, ChEMBL:CHEMBL1651998, ZINC:ZINC000000002137, SureChEMBL:SCHEMBL19192, MolPort-006-110-275
Chemical structure information
SMILES:
CC1(O)CCC(CC1)C(O)(C)CInChI:
InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3InChIKey:
RBNWAMSGVWEHFP-UHFFFAOYSA-NDeepSMILES:
CCO)CCCCC6))CO)C)CFunctional groups:
CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCCCC1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Monoterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Monoterpenoids
NP Classifier Class: Menthane monoterpenoids
NP-Likeness score: 2.074
Chemical structure download