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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N2O4
Molecular Weight 368.4263
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPECIOPHYLLINE

SMILES

[H][C@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CC[C@@]24C(=O)NC5=CC=CC=C45)C(=O)OC

InChI

InChIKey=JMIAZDVHNCCPDM-ZUNJVLJPSA-N
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24N2O4
Molecular Weight 368.4263
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:48:37 GMT 2023
Edited
by admin
on Sat Dec 16 10:48:37 GMT 2023
Record UNII
ET6RF2PE1P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPECIOPHYLLINE
Common Name English
NSC-113094
Code English
FORMOSANAN-16-CARBOXYLIC ACID, 19-METHYL-2-OXO-, METHYL ESTER, (3.BETA.,7.ALPHA.,19.ALPHA.,20.ALPHA.)-
Common Name English
UNCARINE D
Common Name English
SPECIOPHYLLINE (UNCARINE D) (CONSTITUENT OF CAT'S CLAW) [DSC]
Common Name English
SPECIOPHYLLIN
Common Name English
UNCARIN D
Common Name English
METHYL (3.BETA.,7.ALPHA.,19.ALPHA.,20.ALPHA.)-19-METHYL-2-OXOFORMOSANAN-16-CARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
168985
Created by admin on Sat Dec 16 10:48:37 GMT 2023 , Edited by admin on Sat Dec 16 10:48:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID501319083
Created by admin on Sat Dec 16 10:48:37 GMT 2023 , Edited by admin on Sat Dec 16 10:48:37 GMT 2023
PRIMARY
FDA UNII
ET6RF2PE1P
Created by admin on Sat Dec 16 10:48:37 GMT 2023 , Edited by admin on Sat Dec 16 10:48:37 GMT 2023
PRIMARY
NSC
113094
Created by admin on Sat Dec 16 10:48:37 GMT 2023 , Edited by admin on Sat Dec 16 10:48:37 GMT 2023
PRIMARY
CAS
4697-68-1
Created by admin on Sat Dec 16 10:48:37 GMT 2023 , Edited by admin on Sat Dec 16 10:48:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
PARENT -> CONSTITUENT ALWAYS PRESENT
Constituent of Uncaria tomentosa stem?s inner bark of Uncaria tomentosa stem.