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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27NO2
Molecular Weight 325.4446
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of O-METHYLAPORUBROPUNCTATAMINE

SMILES

CCCCCC(=O)CC1=C(C)C(OC)=C2C=NC(\C=C\C)=CC2=C1

InChI

InChIKey=HESOHRJAFFZEAO-RMKNXTFCSA-N
InChI=1S/C21H27NO2/c1-5-7-8-10-19(23)13-16-11-17-12-18(9-6-2)22-14-20(17)21(24-4)15(16)3/h6,9,11-12,14H,5,7-8,10,13H2,1-4H3/b9-6+

HIDE SMILES / InChI

Molecular Formula C21H27NO2
Molecular Weight 325.4446
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 Sat Dec 16 09:32:26 GMT 2023
Edited
by admin
on Sat Dec 16 09:32:26 GMT 2023
Record UNII
3NS910RD62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-METHYLAPORUBROPUNCTATAMINE
Common Name English
1-(8-METHOXY-7-METHYL-3-((E)-PROP-1-ENYL)-6-ISOQUINOLYL)HEPTAN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
122201418
Created by admin on Sat Dec 16 09:32:26 GMT 2023 , Edited by admin on Sat Dec 16 09:32:26 GMT 2023
PRIMARY
CAS
112656-30-1
Created by admin on Sat Dec 16 09:32:26 GMT 2023 , Edited by admin on Sat Dec 16 09:32:26 GMT 2023
PRIMARY
FDA UNII
3NS910RD62
Created by admin on Sat Dec 16 09:32:26 GMT 2023 , Edited by admin on Sat Dec 16 09:32:26 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
See compound LXX. Fungal metabolite.