Molecule

Cycloanchinopeptolide C

AlkaPlorer ID: AK293465

Synonym: None

IUPAC Name: 2-[3-[15-[2-(diaminomethylideneamino)ethyl]-14,16-dihydroxy-6,7-bis(4-hydroxyphenyl)-11-methyl-3,10,13,17-tetraoxo-1,4,9,12-tetrazatricyclo[12.3.0.05,8]heptadecan-16-yl]propyl]guanidine

Structure

SMILES: CC1N=C(O)C2(O)C(CCNC(=N)N)C(O)(CCCNC(=N)N)C(=O)N2CC(O)=NC2C(N=C1O)C(C1=CC=C(O)C=C1)C2C1=CC=C(O)C=C1

InChI: InChI=1S/C33H44N10O8/c1-16-27(47)42-26-24(18-5-9-20(45)10-6-18)23(17-3-7-19(44)8-4-17)25(26)41-22(46)15-43-29(49)32(50,12-2-13-38-30(34)35)21(11-14-39-31(36)37)33(43,51)28(48)40-16/h3-10,16,21,23-26,44-45,50-51H,2,11-15H2,1H3,(H,40,48)(H,41,46)(H,42,47)(H4,34,35,38)(H4,36,37,39)

InChIKey: RDPGOTJTKJICGL-UHFFFAOYSA-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: 73835700

LOTUS: LTS0149659

COCONUT: CNP0464946.1

Source

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

Properties Information

Molecule Weight: 708.7770000000003

TPSA？: 322.80000000000007

MolLogP？: 0.0021400000000074

Number of H-Donors: 13

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi