EcoDrugPlus


Synonyms	Ampelopsin Ampeloptin Dihydromyricetin Myriceline spe Telocapil
Status
Molecule Category	Free-form
UNII	KD8QND6427
EPA CompTox	DTXSID50181676


InChI Key	KJXSIXMJHKAJOD-LSDHHAIUSA-N
Smiles	O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2)[C@H]1O
InChI	InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1

Property Name	Value
Molecular Formula	C15H12O8
Molecular Weight	320.25
AlogP	0.89
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	1.0
Polar Surface Area	147.68
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	23.0

Resources	Reference
ChEBI	28429
ChEMBL	CHEMBL3348861
DrugBank	DB15645
FDA SRS	KD8QND6427
KEGG	C02906
SureChEMBL	SCHEMBL723736
ZINC	ZINC000100037633

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

AMPELOPSIN

Structure

Physicochemical Descriptors

Related Entries

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