Molecule

Cytoglobosin A

AlkaPlorer ID: AK053686

Synonym: None

IUPAC Name: (1R,4R,8R,9S,11E,13R,14S,16S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatetracyclo[11.7.0.01,17.04,8]icosa-6,11-diene-2,5,20-trione

Structure

SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@]23C(=O)C[C@H]2C(=O)C(O)=C(C)[C@@H]2[C@@H](C)C/C=C/[C@H]3[C@@H]1O

InChI: InChI=1S/C32H36N2O5/c1-15-8-7-10-22-28(36)17(3)16(2)27-24(12-19-14-33-23-11-6-5-9-20(19)23)34-31(39)32(22,27)25(35)13-21-26(15)18(4)29(37)30(21)38/h5-7,9-11,14-16,21-22,24,26-28,33,36-37H,3,8,12-13H2,1-2,4H3,(H,34,39)/b10-7+/t15-,16+,21+,22-,24-,26-,27-,28+,32+/m0/s1

InChIKey: VROGJHMZKMLYET-NKUOSLKNSA-N

Reference

Cytoglobosins A−G, Cytochalasans from a Marine-Derived Endophytic Fungus, <i>Chaetomium globosum</i> QEN-14

PubChem CID: 46209792

LOTUS: LTS0135816

NPASS: NPC147446

{

NPAtlas: NPA007918

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ulva pertusa	Ulva	Ulvaceae	Ulvales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Eschweilera coriacea	Eschweilera	Lecythidaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Salvadora persica	Salvadora	Salvadoraceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eucalyptus cladocalyx	Eucalyptus	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus violaceus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Chaetomium globosum	Chaetomium	Chaetomiaceae	Sordariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 528.6490000000003

TPSA？: 119.49

MolLogP？: 4.196700000000004

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	10000.0	nM	10.1021/np900569t
Homo sapiens	KB	Activity	nan	None	10.1021/np900569t
Mus musculus	P388	Activity	nan	None	10.1021/np900569t