Molecule

Bastadin 4; 28-Debromo

AlkaPlorer ID: AK003952

Synonym: Bastadin 7, Cyclobastadin 4

IUPAC Name: 5,16,21,32-tetrabromo-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),28,30,33,36-tridecaene-11,26-dione

Structure

SMILES: O=C1NC=CC2=CC(Br)=C(C=C2)OC2=C(O)C(Br)=CC(=C2)CCNC(=O)C(=NO)CC2=CC=C(OC3=C(O)C(Br)=CC(=C3)CC1=NO)C(Br)=C2

InChI: InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,43-44,47-48H,6,8,13-14H2,(H,39,46)(H,40,45)

InChIKey: ZDBNBLMYAGHTJD-UHFFFAOYSA-N

Reference

Brominated tyrosine-derived metabolites from the sponge Ianthella basta

PubChem CID: 72739460

CAS: 79067-73-5

LOTUS: LTS0151940

NPASS: NPC84059

COCONUT: CNP0205150

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
Ianthella basta	Ianthella	Ianthellidae	Verongiida	Demospongiae	Porifera	Metazoa	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: 938.218

TPSA？: 182.3

MolLogP？: 7.937200000000007

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi