API and parent drug

(6)-Gingerol

CAS 23513-14-6 · C17H26O4 · 3 related records

01API identity and structure

2D structurePubChem CID 442793
2D structure: (6)-Gingerol, CAS 23513-14-6
Structure of (6)-Gingerol (CAS 23513-14-6). LazyChem record. Source identity: PubChem CID 442793. Confirm the identifiers before analytical use.Download structure image
API / medicine name(6)-Gingerol
CAS RN23513-14-6
PubChem CID442793
Molecular formulaC17H26O4
Molecular weight294.4 g/mol
IUPAC name(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Defined stereocentres1
Unassigned stereocentres0
SMILESCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChINot listed
InChIKeyNLDDIKRKFXEWBK-AWEZNQCLSA-N

02Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 23513-14-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources