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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H15NO4
Molecular Weight 189.209
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASTANOSPERMINE

SMILES

[H][C@]12[C@@H](O)CCN1C[C@H](O)[C@@H](O)[C@@H]2O

InChI

InChIKey=JDVVGAQPNNXQDW-TVNFTVLESA-N
InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H15NO4
Molecular Weight 189.209
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:53:19 UTC 2023
Edited
by admin
on Fri Dec 15 15:53:19 UTC 2023
Record UNII
Q0I3184XM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CASTANOSPERMINE
MI  
Common Name English
(1S,6S,7R,8R,8AR)-OCTAHYDRO-1,6,7,8-INDOLIZINETETROL
Common Name English
CASTANOSPERMINE [MI]
Common Name English
NSC-625381
Code English
Code System Code Type Description
NSC
625381
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY
CHEBI
27860
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY
MERCK INDEX
m3166
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
CASTANOSPERMINE
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY
PUBCHEM
54445
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY
CAS
79831-76-8
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY
FDA UNII
Q0I3184XM7
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID601026043
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY
DRUG BANK
DB01816
Created by admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
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PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY