INDIGO


Synonyms	Ao201 C.I.73000 Ci 73000 Indigo Indigo blue Indigo whole Indigofera orthocarpa whole Indigofera tinctoria Indigofera tinctoria whole Indigotin NSC-8645 Nila whole Nili whole Nilika whole Nilini whole True indigo whole
Status
Molecule Category	UNKNOWN
UNII	1G5BK41P4F


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

Structure


InChI Key	COHYTHOBJLSHDF-BUHFOSPRSA-N
Smiles	O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21
InChI	InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H10N2O2
Molecular Weight	262.27
AlogP	2.81
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	0.0
Polar Surface Area	58.2
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL599552
FDA SRS	1G5BK41P4F
SureChEMBL	SCHEMBL42280
ZINC	ZINC000100014196

CONTENTS


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).