Molecule

Cryptophycin D

AlkaPlorer ID: AK044547

Synonym: None

IUPAC Name: (3S,6R,10R,13E,16S)-10-[(4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Structure

SMILES: COC1=CC=C(C[C@H]2N=C(O)/C=C/C[C@@H]([C@H](C)/C=C/C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CN=C2O)C=C1

InChI: InChI=1S/C35H44N2O7/c1-23(2)20-31-35(41)43-30(24(3)14-15-26-10-7-6-8-11-26)12-9-13-32(38)37-29(21-27-16-18-28(42-5)19-17-27)33(39)36-22-25(4)34(40)44-31/h6-11,13-19,23-25,29-31H,12,20-22H2,1-5H3,(H,36,39)(H,37,38)/b13-9+,15-14+/t24-,25-,29-,30+,31+/m1/s1

InChIKey: IEYSWBYGDJSUEZ-FBLQQVRNSA-N

Reference

Structure determination, conformational analysis, chemical stability studies, and antitumor evaluation of the cryptophycins. Isolation of 18 new analogs from Nostoc sp. strain GSV 224

PubChem CID: 10371453

LOTUS: LTS0213589

NPASS: NPC132771

{

NPAtlas: NPA005221

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Katsuwonus pelamis	Katsuwonus	Scombridae	Scombriformes	Actinopteri	Chordata	Metazoa	Eukaryota
Cladrastis sikokiana	Cladrastis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Neurolaena lobata	Neurolaena	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Peperomia clusiifolia	Peperomia	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Grevillea robusta	Grevillea	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Smilax moranensis	Smilax	Smilacaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eleutherococcus sieboldianus	Eleutherococcus	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vaccinium arctostaphylos	Vaccinium	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces pilosus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Eriobotrya deflexa	Eriobotrya	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lasius meridionalis	Lasius	Formicidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Meyerozyma guilliermondii	Meyerozyma	Debaryomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota
Ajuga nipponensis	Ajuga	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nostoc sp.	Nostoc	Nostocaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Anneissia japonica	Anneissia	Comatulidae	Comatulida	Crinoidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 604.7440000000003

TPSA？: 127.01000000000002

MolLogP？: 6.334500000000007

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HT-29	IC50	10.0	nM	10.1016/0960-894X(96)00182-5
Homo sapiens	KB	IC50	10.0	nM	10.1016/0960-894X(96)00182-5
Mus musculus	B16-F10	IC50	10.0	nM	10.1016/0960-894X(96)00182-5
Mus musculus	DA-3 cell line	IC50	10.0	nM	10.1016/0960-894X(96)00182-5