Summary

IMPPAT Phytochemical identifier: IMPHY015979

Phytochemical name: Tuliposide A

Synonymous chemical names:
tuliposide a

External chemical identifiers:
CID:108011, ChEMBL:CHEMBL1255769, ChEBI:9777

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Chemical structure information

SMILES:
OCCC(=C)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C11H18O8/c1-5(2-3-12)10(17)19-11-9(16)8(15)7(14)6(4-13)18-11/h6-9,11-16H,1-4H2/t6-,7-,8+,9-,11+/m1/s1

InChIKey:
SQRUWMQAWMLKPR-DZEUPHNYSA-N

DeepSMILES:
OCCC=C)C=O)O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

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

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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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyl glycosides

NP Classifier Class: Fatty acyl glycosides of mono- and disaccharides

NP-Likeness score: 2.521

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Chemical structure download