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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H20O6
Molecular Weight 332.3478
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of COMBRETASTATIN A-1

SMILES

COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C(O)=C1O

InChI

InChIKey=YUSYSJSHVJULID-WAYWQWQTSA-N
InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-

HIDE SMILES / InChI

Molecular Formula C18H20O6
Molecular Weight 332.3478
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:52:44 GMT 2023
Edited
by admin
on Fri Dec 15 19:52:44 GMT 2023
Record UNII
2222ATS339
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COMBRETASTATIN A-1
MI  
Common Name English
Combretastatin A1 [WHO-DD]
Common Name English
1,2-BENZENEDIOL, 3-METHOXY-6-(2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL)-, (Z)-
Common Name English
COMBRETASTATIN A-1 [MI]
Common Name English
OXI4500
Code English
COMBRETASTATIN A1
Common Name English
CA1
Common Name English
NSC-600032
Code English
Code System Code Type Description
PUBCHEM
5458993
Created by admin on Fri Dec 15 19:52:45 GMT 2023 , Edited by admin on Fri Dec 15 19:52:45 GMT 2023
PRIMARY
FDA UNII
2222ATS339
Created by admin on Fri Dec 15 19:52:45 GMT 2023 , Edited by admin on Fri Dec 15 19:52:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID701028842
Created by admin on Fri Dec 15 19:52:45 GMT 2023 , Edited by admin on Fri Dec 15 19:52:45 GMT 2023
PRIMARY
WIKIPEDIA
COMBRETASTATIN A-1
Created by admin on Fri Dec 15 19:52:45 GMT 2023 , Edited by admin on Fri Dec 15 19:52:45 GMT 2023
PRIMARY
CAS
109971-63-3
Created by admin on Fri Dec 15 19:52:45 GMT 2023 , Edited by admin on Fri Dec 15 19:52:45 GMT 2023
PRIMARY
MERCK INDEX
m3747
Created by admin on Fri Dec 15 19:52:45 GMT 2023 , Edited by admin on Fri Dec 15 19:52:45 GMT 2023
PRIMARY Merck Index
NCI_THESAURUS
C162344
Created by admin on Fri Dec 15 19:52:45 GMT 2023 , Edited by admin on Fri Dec 15 19:52:45 GMT 2023
PRIMARY
NSC
600032
Created by admin on Fri Dec 15 19:52:45 GMT 2023 , Edited by admin on Fri Dec 15 19:52:45 GMT 2023
PRIMARY
Related Record Type Details
TARGET->INHIBITOR OF AGGREGATION
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY