EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2GB7AS83GT

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2GB7AS83GT


InChI Key	LJWZOKOFCBPNAG-UHFFFAOYSA-N
Smiles	CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1
InChI	InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3

InChI Key

LJWZOKOFCBPNAG-UHFFFAOYSA-N

Smiles

CC=CC(=O)OC1CC2OC3C=C(C)C(=O)CC3(C)C1(C)C21CO1

InChI

InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3

Property Name	Value
Molecular Formula	C19H24O5
Molecular Weight	332.16
AlogP	2.35
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	2.0
Polar Surface Area	65.13
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H24O5

Molecular Weight

332.16

AlogP

2.35

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

2.0

Polar Surface Area

65.13

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	6379-69-7
NORMAN SUSDAT
FDA SRS	2GB7AS83GT

Resources

Reference

CAS NUMBER

6379-69-7

NORMAN SUSDAT

FDA SRS

2GB7AS83GT

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

TRICHOTHECIN

Structure

Physicochemical Descriptors

Cross References