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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H73NO16
Molecular Weight 884.0582
Optical Activity UNSPECIFIED
Defined Stereocenters 26 / 26
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-SOLAMARINE

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@]6(CC[C@H](C)CN6)O2)O[C@]7([H])O[C@H](CO)[C@H](O)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@]9([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O

InChI

InChIKey=QCTMYNGDIBTNSK-AQZQQWEISA-N
InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1

HIDE SMILES / InChI

Molecular Formula C45H73NO16
Molecular Weight 884.0582
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 25 / 26
E/Z Centers 0
Optical Activity UNSPECIFIED

α-Solamarine is an alkaloid from Solanum juzepczukii (bitter potato). It is derived from tomatidenol found in potatoes. A-solamarine has been reported as a constituent of S. curtilobum, S. phureja juzepczukii, S. candolleanum, S. medians, and S. multiinterruptum.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Effect of light exposure on the glycoalkaloid content of Solanum phureja tubers.
2001 Nov
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:50:58 GMT 2023
Edited
by admin
on Fri Dec 15 18:50:58 GMT 2023
Record UNII
5YG8GM566A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-SOLAMARINE
Common Name English
.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,22.BETA.,25S)-SPIROSOL-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-
Common Name English
ALPHA-SOLAMARINE
Common Name English
Code System Code Type Description
CAS
20318-30-3
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY
PUBCHEM
70680623
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID90174204
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY
FDA UNII
5YG8GM566A
Created by admin on Fri Dec 15 18:50:58 GMT 2023 , Edited by admin on Fri Dec 15 18:50:58 GMT 2023
PRIMARY