Molecule

Anchinopeptolide D

AlkaPlorer ID: AK010829

Synonym: ''

IUPAC Name: (2S,3R,4S)-3-[2-(diaminomethylideneamino)ethyl]-4-[3-(diaminomethylideneamino)propyl]-2,4-dihydroxy-N,1-bis[2-[[(E)-2-(4-hydroxyphenyl)ethenyl]amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide

Structure

SMILES: N=C(N)NCCC[C@@]1(O)C(=O)N(CC(=O)N/C=C/C2=CC=C(O)C=C2)[C@@](O)(C(=O)NCC(=O)N/C=C/C2=CC=C(O)C=C2)[C@@H]1CCNC(=N)N

InChI: InChI=1S/C32H42N10O8/c33-29(34)39-14-1-13-31(49)24(12-17-40-30(35)36)32(50,27(47)41-18-25(45)37-15-10-20-2-6-22(43)7-3-20)42(28(31)48)19-26(46)38-16-11-21-4-8-23(44)9-5-21/h2-11,15-16,24,43-44,49-50H,1,12-14,17-19H2,(H,37,45)(H,38,46)(H,41,47)(H4,33,34,39)(H4,35,36,40)/b15-10+,16-11+/t24-,31+,32+/m1/s1

InChIKey: BBMGZUODZUGTGP-YKYMCWODSA-N

Reference

Four New Dimeric Peptide Alkaloids, Anchinopeptolides B-D, and Cycloanchinopeptolide C, Congeners of Anchinopeptolide A, from the Mediterranean Marine Sponge Anchinoe tenacior

PubChem CID: 10484815

LOTUS: LTS0172751

NPASS: NPC473546

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phorbas tenacior	Phorbas	Hymedesmiidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 694.75

TPSA？: 312.33

MolLogP？: -1.897459999999992

Number of H-Donors: 13

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	Unchecked	Activity	77.0	%	10.1021/np50111a006