Molecule

Ancorinoside D

AlkaPlorer ID: AK040689

Synonym: '(-)-Ancorinoside D'

IUPAC Name: (2S,3R,4R,5R,6R)-6-[(Z)-24-[(2R)-2-(carboxymethyl)-3-hydroxy-1-methyl-5-oxo-2H-pyrrol-4-yl]-24-oxotetracos-11-enoxy]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

Structure

SMILES: CN1C(=O)/C(=C(/O)CCCCCCCCCCC/C=C\CCCCCCCCCCO[C@@H]2O[C@H](C(=O)O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)[C@H]1CC(=O)O

InChI: InChI=1S/C43H71NO17/c1-44-27(25-30(47)48)32(49)31(40(44)55)28(46)23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-58-42-37(54)35(52)38(39(61-42)41(56)57)60-43-36(53)34(51)33(50)29(26-45)59-43/h2,4,27,29,33-39,42-43,45-46,50-54H,3,5-26H2,1H3,(H,47,48)(H,56,57)/b4-2-,31-28+/t27-,29-,33-,34+,35-,36-,37-,38-,39+,42-,43+/m1/s1

InChIKey: PCXXTTQRAIOBEI-PFBYRJTESA-N

Reference

Ancorinosides B–D, inhibitors of membrane type 1 matrix metalloproteinase (MT1-MMP), from the marine sponge Penares sollasi Thiele

LOTUS: LTS0046458

SuperNatural Ⅲ: SN0282022-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penares sollasi	Penares	Geodiidae	Tetractinellida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 874.0310000000009

TPSA？: 290.51

MolLogP？: 2.7741000000000016

Number of H-Donors: 9

Number of H-Acceptors: 15

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi