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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38O6
Molecular Weight 470.5977
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CANNABINOR

SMILES

CCCCCCC(C)(C)C1=CC(O)=C([C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)C(OC(=O)\C=C\C(O)=O)=C1

InChI

InChIKey=GSTZHANFXAKPSE-MXTREEOPSA-N
InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H38O6
Molecular Weight 470.5977
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 10:54:35 UTC 2023
Edited
by admin
on Sat Dec 16 10:54:35 UTC 2023
Record UNII
O8E148Q90M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANNABINOR
Common Name English
PRS-211375
Code English
CANNABINOR, (-)-
Common Name English
2-BUTENEDIOIC ACID (2E)-, 1-(5-(1,1-DIMETHYLHEPTYL)-2-((1S,2S,5S)-6,6-DIMETHYL-4-OXOBICYCLO(3.1.1)HEPT-2-YL)-3-HYDROXYPHENYL) ESTER
Systematic Name English
PRS-211,375
Code English
Code System Code Type Description
WIKIPEDIA
Cannabinor
Created by admin on Sat Dec 16 10:54:35 UTC 2023 , Edited by admin on Sat Dec 16 10:54:35 UTC 2023
PRIMARY
CAS
573981-31-4
Created by admin on Sat Dec 16 10:54:35 UTC 2023 , Edited by admin on Sat Dec 16 10:54:35 UTC 2023
PRIMARY
FDA UNII
O8E148Q90M
Created by admin on Sat Dec 16 10:54:35 UTC 2023 , Edited by admin on Sat Dec 16 10:54:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID701019168
Created by admin on Sat Dec 16 10:54:35 UTC 2023 , Edited by admin on Sat Dec 16 10:54:35 UTC 2023
PRIMARY
DRUG BANK
DB05048
Created by admin on Sat Dec 16 10:54:35 UTC 2023 , Edited by admin on Sat Dec 16 10:54:35 UTC 2023
PRIMARY
PUBCHEM
10174045
Created by admin on Sat Dec 16 10:54:35 UTC 2023 , Edited by admin on Sat Dec 16 10:54:35 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545290
Created by admin on Sat Dec 16 10:54:35 UTC 2023 , Edited by admin on Sat Dec 16 10:54:35 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY