Molecule

Bastadin 4

AlkaPlorer ID: AK002634

Synonym: Cyclobastadin 1

IUPAC Name: 5,16,21,32,36-pentabromo-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(Br)=C(OC3=C(O)C(Br)=CC(=C3)CC1=NO)C(Br)=C2

InChI: InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)

InChIKey: YCBNAUHIFJRIQW-UHFFFAOYSA-N

Reference

New bastadins from the sponge Ianthella basta

PubChem CID: 6850241

CAS: 79067-76-8

LOTUS: LTS0002269

NPASS: NPC231900

COCONUT: CNP0237099

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: 1017.114

TPSA？: 182.3

MolLogP？: 8.699700000000004

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi