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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H20N2O6
Molecular Weight 300.3077
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTINOBOLIN

SMILES

[H][C@@]12[C@@H](O)[C@H](O)CC(O)=C1C(=O)O[C@H](C)[C@@H]2NC(=O)[C@H](C)N

InChI

InChIKey=PQVQBAAWCOTEBG-NSVWQLETSA-N
InChI=1S/C13H20N2O6/c1-4(14)12(19)15-10-5(2)21-13(20)8-6(16)3-7(17)11(18)9(8)10/h4-5,7,9-11,16-18H,3,14H2,1-2H3,(H,15,19)/t4-,5+,7+,9+,10-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H20N2O6
Molecular Weight 300.3077
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Screening for new compounds with antiherpes activity.
1984 Oct
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:17:39 GMT 2023
Edited
by admin
on Sat Dec 16 09:17:39 GMT 2023
Record UNII
999317A21F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACTINOBOLIN
MI  
Common Name English
NSC-31083
Code English
(+)-ACTINOBOLIN
Common Name English
ACTINOBOLIN [MI]
Common Name English
ISOCOUMARIN, 4-(2-AMINOPROPIONAMIDO)-3,4,4A,5,6,7-HEXAHYDRO-5,6,8-TRIHYDROXY-3-METHYL-
Common Name English
PROPANAMIDE, 2-AMINO-N-((3R,4R,4AR,5R,6R)-3,4,4A,5,6,7-HEXAHYDRO-5,6,8-TRIHYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-4-YL)-, (2S)-
Systematic Name English
Code System Code Type Description
NSC
31083
Created by admin on Sat Dec 16 09:17:40 GMT 2023 , Edited by admin on Sat Dec 16 09:17:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID001043243
Created by admin on Sat Dec 16 09:17:40 GMT 2023 , Edited by admin on Sat Dec 16 09:17:40 GMT 2023
PRIMARY
FDA UNII
999317A21F
Created by admin on Sat Dec 16 09:17:40 GMT 2023 , Edited by admin on Sat Dec 16 09:17:40 GMT 2023
PRIMARY
PUBCHEM
54688606
Created by admin on Sat Dec 16 09:17:40 GMT 2023 , Edited by admin on Sat Dec 16 09:17:40 GMT 2023
PRIMARY
MERCK INDEX
m1398
Created by admin on Sat Dec 16 09:17:40 GMT 2023 , Edited by admin on Sat Dec 16 09:17:40 GMT 2023
PRIMARY Merck Index
CAS
24397-89-5
Created by admin on Sat Dec 16 09:17:40 GMT 2023 , Edited by admin on Sat Dec 16 09:17:40 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT