U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O15
Molecular Weight 594.5181
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOLYMOSIDE

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)C=C(O4)C5=CC(O)=C(O)C=C5)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=MGYBYJXAXUBTQF-FOBVWLSUSA-N
InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30O15
Molecular Weight 594.5181
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:44:11 GMT 2023
Edited
by admin
on Sat Dec 16 10:44:11 GMT 2023
Record UNII
LDM9NL7QUS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCOLYMOSIDE
Common Name English
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(((2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXYMETHYL)OXAN-2-YL)OXYCHROMEN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-
Systematic Name English
SCOLIMOSIDE
Common Name English
7-RUTINOSYLLUTEOLIN
Common Name English
SKOLIMOSIDE
Common Name English
LUTEOLIN-7-O-.BETA.-D-RUTINOSIDE
Common Name English
LUTEOLIN 7-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE
Systematic Name English
Code System Code Type Description
CAS
20633-84-5
Created by admin on Sat Dec 16 10:44:11 GMT 2023 , Edited by admin on Sat Dec 16 10:44:11 GMT 2023
PRIMARY
FDA UNII
LDM9NL7QUS
Created by admin on Sat Dec 16 10:44:11 GMT 2023 , Edited by admin on Sat Dec 16 10:44:11 GMT 2023
PRIMARY
PUBCHEM
10461109
Created by admin on Sat Dec 16 10:44:11 GMT 2023 , Edited by admin on Sat Dec 16 10:44:11 GMT 2023
PRIMARY
CHEBI
31788
Created by admin on Sat Dec 16 10:44:11 GMT 2023 , Edited by admin on Sat Dec 16 10:44:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID201313731
Created by admin on Sat Dec 16 10:44:11 GMT 2023 , Edited by admin on Sat Dec 16 10:44:11 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT