EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	32ZQ957R4A
EPA CompTox	DTXSID60864569

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

32ZQ957R4A

EPA CompTox

DTXSID60864569


InChI Key	AMOGMTLMADGEOQ-DTDWCABLSA-N
Smiles	C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O
InChI	InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1

InChI Key

AMOGMTLMADGEOQ-DTDWCABLSA-N

Smiles

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O

InChI

InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1

Property Name	Value
Molecular Formula	C20H24O11
Molecular Weight	440.13
AlogP	-2.4
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	4.0
Polar Surface Area	169.05
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C20H24O11

Molecular Weight

440.13

AlogP

-2.4

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

4.0

Polar Surface Area

169.05

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	15291-76-6
NORMAN SUSDAT
FDA SRS	32ZQ957R4A
PubChem	9867869

Resources

Reference

CAS NUMBER

15291-76-6

NORMAN SUSDAT

FDA SRS

32ZQ957R4A

PubChem

9867869

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, 3 November 2025

GINKGOLIDE C

Structure

Physicochemical Descriptors

Cross References