Molecule

Grixazone B

AlkaPlorer ID: AK019379

Synonym: None

IUPAC Name: 9-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-8-amino-7-oxophenoxazine-2-carboxylic acid

Structure

SMILES: CC(=O)N[C@@H](CSC1=C(N)C(=O)C=C2OC3=CC=C(C(=O)O)C=C3N=C21)C(=O)O

InChI: InChI=1S/C18H15N3O7S/c1-7(22)20-10(18(26)27)6-29-16-14(19)11(23)5-13-15(16)21-9-4-8(17(24)25)2-3-12(9)28-13/h2-5,10H,6,19H2,1H3,(H,20,22)(H,24,25)(H,26,27)/t10-/m0/s1

InChIKey: KUPQDUIOULXTJZ-JTQLQIEISA-N

Reference

Structures of Grixazone A and B, A-Factor-dependent Yellow Pigments Produced under Phosphate Depletion by Streptomyces griseus

PubChem CID: 49866209

LOTUS: LTS0146593

SuperNatural Ⅲ: SN0195852-01

NPASS: NPC108847

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NPAtlas: NPA011614

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Croton californicus	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Malva crispa	Malva	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Albugo candida	Albugo	Albuginaceae	Albuginales	None	Oomycota	None	Eukaryota
Dendrobium rotundatum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Graphis elongata	Graphis	Graphidaceae	Ostropales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Distolasterias nipon	Distolasterias	Asteriidae	Forcipulatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
Rhinella paracnemis	Rhinella	Bufonidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota
Toxicodendron succedaneum	Toxicodendron	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces griseus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Picrorhiza kurrooa	Picrorhiza	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ratibida latipalearis	Ratibida	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phellinus xeranticus	Phellinus	Hymenochaetaceae	Hymenochaetales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Weddellina squamulosa	Weddellina	Podostemaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homarus americanus	Homarus	Nephropidae	Decapoda	Malacostraca	Arthropoda	Metazoa	Eukaryota
Culcitium canescens	Culcitium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 417.39900000000017

TPSA？: 172.82

MolLogP？: 1.2546

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HeLa	CC50	119900.0	nM	10.1021/np100344u
Homo sapiens	HUVEC	GI50	119900.0	nM	10.1021/np100344u
Homo sapiens	K562	GI50	76400.0	nM	10.1021/np100344u

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002745	CC(=O)N[C@@H](CS)C(=O)O.Nc1cc(C(=O)O)ccc1O.Nc1cc(C(=O)O)ccc1O>>CC(=O)N[C@@H](CSc1c2nc3cc(C(=O)O)ccc3oc-2cc(=O)c1N)C(=O)O	RXN-15414
AKRT002757	CC(=O)N[C@@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)O>>CC(=O)N[C@@H](CSc1c2nc3cc(C(=O)O)ccc3oc-2cc(=O)c1N)C(=O)O	RXN-13869