Molecule

Mycalamide D

AlkaPlorer ID: AK028930

Synonym: None

IUPAC Name: (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-hydroxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

Structure

SMILES: C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@H](O)CO)C(C)(C)[C@@H]3O)O[C@H](C)[C@@H]1C

InChI: InChI=1S/C23H39NO10/c1-11-8-23(30-6,34-13(3)12(11)2)19(28)20(29)24-21-17-16(31-10-32-21)18(27)22(4,5)15(33-17)7-14(26)9-25/h12-19,21,25-28H,1,7-10H2,2-6H3,(H,24,29)/t12-,13-,14+,15-,16+,17+,18-,19-,21+,23-/m1/s1

InChIKey: MPSRCJWTLGCJFM-HDQIZBTCSA-N

Reference

Peloruside B, A Potent Antitumor Macrolide from the New Zealand Marine Sponge Mycale hentscheli: Isolation, Structure, Total Synthesis, and Bioactivity

PubChem CID: 21603508

LOTUS: LTS0088280

SuperNatural Ⅲ: SN0232056-03

NPASS: NPC255175

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Mycale sp.	Mycale	Mycalidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 489.5620000000002

TPSA？: 156.17000000000002

MolLogP？: -0.5958999999999959

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	P388	IC50	0.035	ug.mL-1	10.1021/np990431z
Mus musculus	P388	IC50	65.5	nM	10.1021/np9904511