Molecule

73622-22-7

AlkaPlorer ID: AK062809

Synonym: '', '87099-50-1', 'Fistularin 3', 'Fistularin-3'

IUPAC Name: (5S,6R)-7,9-dibromo-N-[(2S)-3-[2,6-dibromo-4-[(1R)-2-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Structure

SMILES: COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NC[C@H](O)COC1=C(Br)C=C([C@@H](O)CNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)C=C1Br)=NO2

InChI: InChI=1S/C31H30Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,13,20,26-27,42-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t13-,20-,26-,27-,30+,31+/m0/s1

InChIKey: TURTULDFIIAPTC-SVWNRAJFSA-N

Reference

Agelorins A and B, and 11-Epi-Fistularin-3, Three New Antibacterial Fistularin-3 Derivatives from the Tropical Marine Sponge Agelas oroides

PubChem CID: 162931903

LOTUS: LTS0123679

SuperNatural Ⅲ: SN0360508-12

NPASS: NPC211494

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhododendron arboreum	Rhododendron	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia vestita	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aeonium goochiae	Aeonium	Crassulaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cestrum nocturnum	Cestrum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Guatteria blepharophylla	Guatteria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Agelas oroides	Agelas	Agelasidae	Agelasida	Demospongiae	Porifera	Metazoa	Eukaryota
Rhododendron ovatum	Rhododendron	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dryopteris inaequalis	Dryopteris	Dryopteridaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Subergorgia suberosa	Subergorgia	Subergorgiidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Monochaetum vulcanicum	Monochaetum	Melastomataceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Coprinopsis cinerea	Coprinopsis	Psathyrellaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Schistochila appendiculata	Schistochila	Schistochilaceae	Jungermanniales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota
Rhinogobius brunneus	Rhinogobius	Gobiidae	Gobiiformes	Actinopteri	Chordata	Metazoa	Eukaryota
Cereus aethiops	Cereus	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 1114.0220000000002

TPSA？: 209.99

MolLogP？: 4.059700000000002

Number of H-Donors: 6

Number of H-Acceptors: 13

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi