Summary
IMPPAT Phytochemical identifier: IMPHY014601
Phytochemical name: 9-Hydroxylinaloyl glucoside
Synonymous chemical names:9-hydroxylinaloyl glucoside, 9-hydroxylinaloyl glucosides
External chemical identifiers:CID:101833767
Chemical structure information
SMILES:
CCCCCCCCCCC(/C(=C/CC[C@](O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)(C=C)C)/C)OInChI:
InChI=1S/C26H48O7/c1-5-7-8-9-10-11-12-13-16-20(28)19(3)15-14-17-26(4,6-2)33-25-24(31)23(30)22(29)21(18-27)32-25/h6,15,20-25,27-31H,2,5,7-14,16-18H2,1,3-4H3/b19-15+/t20?,21-,22-,23+,24-,25+,26-/m1/s1InChIKey:
ZHXFKTIQPHAEBP-KGFFWSQDSA-NDeepSMILES:
CCCCCCCCCCC/C=C/CC[C@]O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O))))))C=C))C)))))/C))OFunctional groups:
C/C=C(/C)C, C=CC, CO, CO[C@@H](C)OC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCOCC1Scaffold Graph/Node level:
C1CCOCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Fatty acyls
ClassyFire Subclass: Fatty acyl glycosides
NP-Likeness score: 2.186
Chemical structure download