EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	23412OK33Q
EPA CompTox	DTXSID00891819

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

23412OK33Q

EPA CompTox

DTXSID00891819


InChI Key	QFKRKMXPKBHGGO-OYWHZMLYSA-N
Smiles	CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=CC=C[C@@H]([C@H](C)O)O)C)CO
InChI	InChI=1S/C23H32O7/c1-14-8-9-22(12-24)18(10-14)29-19-11-17(21(22,3)23(19)13-28-23)30-20(27)7-5-4-6-16(26)15(2)25/h4-7,10,15-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t15-,16-,17+,18+,19+,21+,22+,23-/m0/s1

InChI Key

QFKRKMXPKBHGGO-OYWHZMLYSA-N

Smiles

CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=CC=C[C@@H]([C@H](C)O)O)C)CO

InChI

InChI=1S/C23H32O7/c1-14-8-9-22(12-24)18(10-14)29-19-11-17(21(22,3)23(19)13-28-23)30-20(27)7-5-4-6-16(26)15(2)25/h4-7,10,15-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t15-,16-,17+,18+,19+,21+,22+,23-/m0/s1

Property Name	Value
Molecular Formula	C23H32O7
Molecular Weight	420.21
AlogP	1.42
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	108.75
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C23H32O7

Molecular Weight

420.21

AlogP

1.42

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

108.75

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	76739-71-4
NORMAN SUSDAT
FDA SRS	23412OK33Q
PubChem	101649339
ChemSpider	10274911.0

Resources

Reference

CAS NUMBER

76739-71-4

NORMAN SUSDAT

FDA SRS

23412OK33Q

PubChem

101649339

ChemSpider

10274911.0

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

TRICHOVERROL A

Structure

Physicochemical Descriptors

Cross References