Molecule

Mycalamide A

AlkaPlorer ID: AK000881

Synonym: 'Mycalamide A', '(+)-Mycalamide A', '115185-92-7'

IUPAC Name: (2S)-N-[(4S,4aR,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-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]3OC)O[C@H](C)[C@@H]1C

InChI: InChI=1S/C24H41NO10/c1-12-9-24(31-7,35-14(3)13(12)2)19(28)21(29)25-22-18-17(32-11-33-22)20(30-6)23(4,5)16(34-18)8-15(27)10-26/h13-20,22,26-28H,1,8-11H2,2-7H3,(H,25,29)/t13-,14-,15+,16-,17+,18-,19-,20-,22+,24-/m1/s1

InChIKey: IJASURGZDJYQGF-JBHOHIEMSA-N

Reference

Antiviral and antitumor agents from a New Zealand sponge, Mycale sp. 2. Structures and solution conformations of mycalamides A and B

PubChem CID: 134820178

LOTUS: LTS0179505

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Halichondriidae	Suberitida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 503.5890000000003

TPSA？: 148.66

MolLogP？: 0.8985000000000012

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi