Molecule

Ancorinoside D

AlkaPlorer ID: AK287929

Synonym: None

IUPAC Name: None

Structure

SMILES: CN1C(=O)/C(=C(/O)CCCCCCCCCCC/C=C\CCCCCCCCCCOC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(=O)C1CC(=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+

InChIKey: PCXXTTQRAIOBEI-AVDPINGVSA-N

Reference

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

CAS: 334519-27-6

LOTUS: LTS0150874

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