EcoDrugPlus


Synonyms	Acid yellow 73 CI 45350:1 Fluorescein Fluorescite Ki201 NSC-667256 NSC-759114 Yellow 7
Status
Molecule Category	Free-form
ATC	S01JA01
UNII	TPY09G7XIR

Synonyms

Acid yellow 73

CI 45350:1

Fluorescein

Fluorescite

Ki201

NSC-667256

NSC-759114

Yellow 7

Status

Molecule Category

Free-form

ATC

S01JA01

UNII

TPY09G7XIR


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	VDBJCDWTNCKRTF-UHFFFAOYSA-N
Smiles	O=C1C=CC2C(=C1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21
InChI	InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,15,22H

InChI Key

VDBJCDWTNCKRTF-UHFFFAOYSA-N

Smiles

O=C1C=CC2C(=C1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21

InChI

InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,15,22H

Property Name	Value
Molecular Formula	C20H12O5
Molecular Weight	332.31
AlogP	2.84
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	72.83
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C20H12O5

Molecular Weight

332.31

AlogP

2.84

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

0.0

Polar Surface Area

72.83

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

25.0

Resources	Reference
ChEMBL	CHEMBL4297067
FDA SRS	TPY09G7XIR
PubChem	16850
SureChEMBL	SCHEMBL2054817

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

FLUORESCEIN

Structure

Physicochemical Descriptors

Cross References