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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H26O
Molecular Weight 222.3663
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUAIOL

SMILES

C[C@H]1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)(C)O

InChI

InChIKey=TWVJWDMOZJXUID-SDDRHHMPSA-N
InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H26O
Molecular Weight 222.3663
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Quinoline alkaloids, coumarins and volatile constituents of Helietta longifoliata.
2002 Jul
Hepatoprotective activity of petroleum ether, diethyl ether, and methanol extract of Scoparia dulcis L. against CCl4-induced acute liver injury in mice.
2009 Jun
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:48:52 UTC 2023
Edited
by admin
on Sat Dec 16 06:48:52 UTC 2023
Record UNII
I7WP008A91
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GUAIOL
MI  
Common Name English
GUAIAC ALCOHOL
Common Name English
CHAMPACOL
Common Name English
5-AZULENEMETHANOL, 1,2,3,4,5,6,7,8-OCTAHYDRO-.ALPHA.,.ALPHA.,3,8-TETRAMETHYL-, (3S,5R,8S)-
Systematic Name English
GUAJOL
Common Name English
NSC-19941
Code English
GUAIOL [MI]
Common Name English
(3S,5R,8S)-1,2,3,4,5,6,7,8-OCTAHYDRO-.ALPHA.,.ALPHA.3,8-TETRAMETHYL-5-AZULENEMETHANOL
Common Name English
Code System Code Type Description
CHEBI
5552
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID40883399
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
MERCK INDEX
m5862
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY Merck Index
CAS
489-86-1
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
RXCUI
2542348
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
FDA UNII
I7WP008A91
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
MESH
C469146
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-702-8
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
NSC
19941
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
WIKIPEDIA
GUAIOL
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
PUBCHEM
227829
Created by admin on Sat Dec 16 06:48:52 UTC 2023 , Edited by admin on Sat Dec 16 06:48:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Sesquiterpene Class