Summary

IMPPAT Phytochemical identifier: IMPHY001201

Phytochemical name: N,N-Dimethylpsychosine

Synonymous chemical names:
(+)9-dimethylpsychotrine

External chemical identifiers:
CID:102039489

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Chemical structure information

SMILES:
CCCCCCCCCCCCC/C=C/[C@H]([C@@H](N(C)C)CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O

InChI:
InChI=1S/C26H51NO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)20(27(2)3)19-33-26-25(32)24(31)23(30)22(18-28)34-26/h16-17,20-26,28-32H,4-15,18-19H2,1-3H3/b17-16+/t20-,21+,22+,23-,24-,25+,26+/m0/s1

InChIKey:
SJWBHOQBARABKH-QHRJNYSLSA-N

DeepSMILES:
CCCCCCCCCCCCC/C=C/[C@H][C@@H]NC)C))CO[C@@H]O[C@H]CO))[C@@H][C@@H][C@H]6O))O))O))))))))O

Functional groups:
C/C=C/C, CN(C)C, CO, CO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Sphingolipids

ClassyFire Subclass: Glycosphingolipids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Sphingolipids

NP Classifier Class: Neutral glycosphingolipids

NP-Likeness score: 1.502

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Chemical structure download