Molecule

Pitucamycin

AlkaPlorer ID: AK041689

Synonym: None

IUPAC Name: (3R,4R,5R)-2,4,5-trihydroxy-3-[[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]amino]-6-iminocyclohexene-1-carboxamide

Structure

SMILES: N=C(O)C1=C(N)[C@@H](O)[C@H](O)[C@@H](NC2=CC3=NC4=CC(CO)=CC=C4OC3=CC2=O)C1=O

InChI: InChI=1S/C20H18N4O7/c21-15-14(20(22)30)17(27)16(19(29)18(15)28)24-8-4-10-13(5-11(8)26)31-12-2-1-7(6-25)3-9(12)23-10/h1-5,16,18-19,24-25,28-29H,6,21H2,(H2,22,30)/t16-,18+,19+/m0/s1

InChIKey: NURWOUVTSOIROK-QXAKKESOSA-N

Reference

ChemInform Abstract: Bezerramycins A—C, Antiproliferative Phenoxazinones from Streptomyces griseus Featuring Carboxy, Carboxamide or Nitrile Substituents.

LOTUS: LTS0052838

SuperNatural Ⅲ: SN0255752-01

NPASS: NPC214368

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
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: 426.3850000000003

TPSA？: 202.99

MolLogP？: -0.3818300000000003

Number of H-Donors: 7

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	Activity	nan	None	10.1021/np100344u
Candida albicans	Candida albicans	Activity	nan	None	10.1021/np100344u
Enterococcus faecalis	Enterococcus faecalis	Activity	nan	None	10.1021/np100344u
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/np100344u
Homo sapiens	HeLa	CC50	74800.0	nM	10.1021/np100344u
Homo sapiens	HUVEC	GI50	36600.0	nM	10.1021/np100344u
Homo sapiens	K562	GI50	27600.0	nM	10.1021/np100344u
Mycolicibacterium vaccae	Mycolicibacterium vaccae	Activity	nan	None	10.1021/np100344u
Penicillium chrysogenum	Penicillium chrysogenum	Activity	nan	None	10.1021/np100344u
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Activity	nan	None	10.1021/np100344u
Sporobolomyces salmonicolor	Sporobolomyces salmonicolor	Activity	nan	None	10.1021/np100344u
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/np100344u