Summary

IMPPAT Phytochemical identifier: IMPHY012999

Phytochemical name: Rosiridin

Synonymous chemical names:
rosiridin

External chemical identifiers:
CID:10314695

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC/C=C(/C(CC=C(C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C16H28O7/c1-9(2)4-5-11(18)10(3)6-7-22-16-15(21)14(20)13(19)12(8-17)23-16/h4,6,11-21H,5,7-8H2,1-3H3/b10-6+/t11?,12-,13-,14+,15-,16-/m1/s1

InChIKey:
PBPYEEMQIFDGSQ-MIYBPCGNSA-N

DeepSMILES:
OC[C@H]O[C@@H]OC/C=C/CCC=CC)C))))O))C)))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
C/C=C(/C)C, CC=C(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: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.793

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Chemical structure download