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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28N2O4
Molecular Weight 396.4794
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PAYNANTHEINE

SMILES

[H][C@@]12C[C@@H]([C@H](CN1CCC3=C2NC4=C3C(OC)=CC=C4)C=C)C(=C/OC)\C(=O)OC

InChI

InChIKey=JGZKIGWXPPFMRG-CYSPOEIOSA-N
InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28N2O4
Molecular Weight 396.4794
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:37:10 GMT 2023
Edited
by admin
on Sat Dec 16 17:37:10 GMT 2023
Record UNII
YLG43M4U5V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAYNANTHEINE
Common Name English
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHENYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BS)-
Systematic Name English
(+)-PAYNANTHEINE
Common Name English
17,18-SECOYOHIMBAN-16-CARBOXYLIC ACID, 16,17,18,19-TETRADEHYDRO-9,17-DIMETHOXY-, METHYL ESTER, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
3037629
Created by admin on Sat Dec 16 17:37:10 GMT 2023 , Edited by admin on Sat Dec 16 17:37:10 GMT 2023
PRIMARY
CAS
4697-66-9
Created by admin on Sat Dec 16 17:37:10 GMT 2023 , Edited by admin on Sat Dec 16 17:37:10 GMT 2023
PRIMARY
FDA UNII
YLG43M4U5V
Created by admin on Sat Dec 16 17:37:10 GMT 2023 , Edited by admin on Sat Dec 16 17:37:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT