Molecule

Bastadin 6

AlkaPlorer ID: AK003484

Synonym: '', 'bastadin-6'

IUPAC Name: 5,16,21,32,33,36-hexabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione

Structure

SMILES: O=C1NCCC2=CC(=C(O)C(Br)=C2)OC2=C(Br)C=C(C=C2Br)CCNC(=O)C(=NO)CC2=CC(Br)=C(O)C(=C2)OC2=C(Br)C=C(C=C2Br)CC1=NO

InChI: InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,45-46,49-50H,1-4,11-12H2,(H,41,48)(H,42,47)

InChIKey: WSOCBHDTRCSWRH-UHFFFAOYSA-N

Reference

Bastadin 20 and Bastadin O-Sulfate Esters from Ianthella basta: Novel Modulators of the Ry1R FKBP12 Receptor Complex

PubChem CID: 75069469

CAS: 79067-74-6

LOTUS: LTS0276058

NPASS: NPC282082

COCONUT: CNP0413741

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Chromolaena collina	Chromolaena	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zanthoxylum brachyacanthum	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tribulus terrestris	Tribulus	Zygophyllaceae	Zygophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melicope subunifoliolata	Melicope	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ormosia macrocalyx	Ormosia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 1098.0259999999998

TPSA？: 182.3

MolLogP？: 9.034

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi