Molecule

Topostatin

AlkaPlorer ID: AK025889

Synonym: 'Topostatin (Thermomonospora alba)', 'Topostatin'

IUPAC Name: [(2R)-1-amino-3-[(3S,6S,13S,14R)-6,13-dimethyl-10-methylidene-2,5,9,12-tetraoxo-14-[(3R,5E,7E,10S)-3,7,10-trimethyl-4-oxoheptadeca-5,7-dienyl]-1-oxa-4,8,11-triazacyclotetradec-3-yl]-1-oxopropan-2-yl] hydrogen sulfate

Structure

SMILES: C=C1N=C(O)[C@@H](C)[C@@H](CC[C@@H](C)C(=O)/C=C/C(C)=C/C[C@@H](C)CCCCCCC)OC(=O)[C@H](C[C@@H](OS(=O)(=O)O)C(=N)O)N=C(O)[C@@H](C)CN=C1O

InChI: InChI=1S/C36H58N4O11S/c1-8-9-10-11-12-13-22(2)14-15-23(3)16-18-29(41)24(4)17-19-30-26(6)34(44)39-27(7)35(45)38-21-25(5)33(43)40-28(36(46)50-30)20-31(32(37)42)51-52(47,48)49/h15-16,18,22,24-26,28,30-31H,7-14,17,19-21H2,1-6H3,(H2,37,42)(H,38,45)(H,39,44)(H,40,43)(H,47,48,49)/b18-16+,23-15+/t22-,24+,25-,26-,28-,30+,31+/m0/s1

InChIKey: XLDIAUNLPWGNHO-NVIXTTCFSA-N

Reference

Topostatin, a Novel Inhibitor of Topoisomerases I and II Produced by Thermomonospora alba Strain No. 1520. I. Taxonomy, Fermentation, Isolation and Biological Activities.

PubChem CID: 162972113

LOTUS: LTS0164589

SuperNatural Ⅲ: SN0433166-05

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Thermobifida alba	Thermobifida	Nocardiopsaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 754.9440000000004

TPSA？: 248.82

MolLogP？: 6.9237700000000055

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi