Molecule

Tubastrindole D

AlkaPlorer ID: AK090959

Synonym: '(-)-Tubastrindole D'

IUPAC Name: None

Structure

SMILES: CN1C(=O)N(C)[C@@]2(C1=O)C1=C(C[C@@]3(C(=O)N(C)C(=N)N3C)[C@@H]2C2=CNC3=CC(Br)=CC=C23)C2=CC=CC=C2N1

InChI: InChI=1S/C28H26BrN7O3/c1-33-23(37)27(35(3)25(33)30)12-17-15-7-5-6-8-19(15)32-22(17)28(24(38)34(2)26(39)36(28)4)21(27)18-13-31-20-11-14(29)9-10-16(18)20/h5-11,13,21,30-32H,12H2,1-4H3/t21-,27-,28+/m0/s1

InChIKey: WILDJHDKEXXKQZ-YNOBPPCASA-N

Reference

PubChem CID: 102406413

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Microcystis ichthyoblabe	Microcystis	Microcystaceae	Chroococcales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Citrus sinensis	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Echinops ritro	Echinops	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thermopsis chinensis	Thermopsis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 588.4660000000001

TPSA？: 119.6

MolLogP？: 3.548070000000002

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi