EcoDrugPlus


Synonyms	AR-100 (OV) AR100 AR100DP1 Ar-100dp1 Ar100dp1 NSC-156130 NSC-272353 Ovatodiolide
Status
Molecule Category	Free-form
UNII	641ILF0QGZ
EPA CompTox	DTXSID401317860

Synonyms

AR-100 (OV)

AR100

AR100DP1

Ar-100dp1

Ar100dp1

NSC-156130

NSC-272353

Ovatodiolide

Status

Molecule Category

Free-form

UNII

641ILF0QGZ

EPA CompTox

DTXSID401317860


InChI Key	KTYZKXFERQUCPX-SIKGVNBJSA-N
Smiles	C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(CC/C=C(\C)CC[C@@H]12)C(=O)O3
InChI	InChI=1S/C20H24O4/c1-12-5-4-6-15-11-16(23-20(15)22)9-13(2)10-18-17(8-7-12)14(3)19(21)24-18/h5,10-11,16-18H,3-4,6-9H2,1-2H3/b12-5+,13-10+/t16-,17-,18+/m0/s1

InChI Key

KTYZKXFERQUCPX-SIKGVNBJSA-N

Smiles

C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(CC/C=C(\C)CC[C@@H]12)C(=O)O3

InChI

InChI=1S/C20H24O4/c1-12-5-4-6-15-11-16(23-20(15)22)9-13(2)10-18-17(8-7-12)14(3)19(21)24-18/h5,10-11,16-18H,3-4,6-9H2,1-2H3/b12-5+,13-10+/t16-,17-,18+/m0/s1

Property Name	Value
Molecular Formula	C20H24O4
Molecular Weight	328.41
AlogP	3.79
Hydrogen Bond Acceptor	4.0
Polar Surface Area	52.6
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H24O4

Molecular Weight

328.41

AlogP

3.79

Hydrogen Bond Acceptor

4.0

Polar Surface Area

52.6

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	3484-37-5
ChEMBL	CHEMBL4650359
FDA SRS	641ILF0QGZ

Resources

Reference

CAS NUMBER

3484-37-5

ChEMBL

CHEMBL4650359

FDA SRS

641ILF0QGZ

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 27^th July 2026

OVATODIOLIDE

Structure

Physicochemical Descriptors

Cross References