EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	EJ6CZV0K5Y
EPA CompTox	DTXSID30178701

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

EJ6CZV0K5Y

EPA CompTox

DTXSID30178701


InChI Key	UCONUSSAWGCZMV-UHFFFAOYSA-N
Smiles	CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1C(O)=O
InChI	InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)

InChI Key

UCONUSSAWGCZMV-UHFFFAOYSA-N

Smiles

CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1C(O)=O

InChI

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

Property Name	Value
Molecular Formula	C22H30O4
Molecular Weight	358.21
AlogP	5.43
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	66.76
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C22H30O4

Molecular Weight

358.21

AlogP

5.43

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

66.76

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	23978-85-0
NORMAN SUSDAT
FDA SRS	EJ6CZV0K5Y
PubChem	98523
ChemSpider	8220.0

Resources

Reference

CAS NUMBER

23978-85-0

NORMAN SUSDAT

FDA SRS

EJ6CZV0K5Y

PubChem

98523

ChemSpider

8220.0

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

DELTA(9)-TETRAHYDROCANNABINOLIC ACID

Structure

Physicochemical Descriptors

Cross References