EcoDrugPlus


Synonyms	Cannabidiol acid
Status
Molecule Category	Free-form
UNII	FJX8O3OJCD
EPA CompTox	DTXSID80154318

Synonyms

Cannabidiol acid

Status

Molecule Category

Free-form

UNII

FJX8O3OJCD

EPA CompTox

DTXSID80154318


InChI Key	WVOLTBSCXRRQFR-DLBZAZTESA-N
Smiles	C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)O)c1O
InChI	InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1

InChI Key

WVOLTBSCXRRQFR-DLBZAZTESA-N

Smiles

C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)O)c1O

InChI

InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1

Property Name	Value
Molecular Formula	C22H30O4
Molecular Weight	358.48
AlogP	5.54
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	77.76
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C22H30O4

Molecular Weight

358.48

AlogP

5.54

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

77.76

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

26.0

Resources	Reference
ChEBI	3359
ChEMBL	CHEMBL498672
FDA SRS	FJX8O3OJCD
Guide to Pharmacology	10600
KEGG	C10784
SureChEMBL	SCHEMBL141666
ZINC	ZINC000004098864

Resources

Reference

ChEBI

3359

ChEMBL

CHEMBL498672

FDA SRS

FJX8O3OJCD

Guide to Pharmacology

KEGG

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CANNABIDIOL ACID

Structure

Physicochemical Descriptors

Cross References