Molecule

Sansalvamide A

AlkaPlorer ID: AK008026

Synonym: None

IUPAC Name: (3S,6S,9S,12S,15S)-6-benzyl-3,9,15-tris(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone

Structure

SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CC(C)C)OC1=O

InChI: InChI=1S/C32H50N4O6/c1-18(2)14-23-28(37)33-24(17-22-12-10-9-11-13-22)29(38)35-25(15-19(3)4)32(41)42-26(16-20(5)6)30(39)36-27(21(7)8)31(40)34-23/h9-13,18-21,23-27H,14-17H2,1-8H3,(H,33,37)(H,34,40)(H,35,38)(H,36,39)/t23-,24-,25-,26-,27-/m0/s1

InChIKey: YIRQWXGQCMAHIW-IRGGMKSGSA-N

Reference

Sansalvamide: A new cytotoxic cyclic depsipeptide produced by a marine fungus of the genus Fusarium

PubChem CID: 10348337

LOTUS: LTS0160591

SuperNatural Ⅲ: SN0451517-01

NPASS: NPC237420

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NPAtlas: NPA019256

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fusarium sp.	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 586.7740000000002

TPSA？: 156.66

MolLogP？: 6.249200000000006

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HCT-116	IC50	9.8	ug.mL-1	10.1039/C3MD00294B
None	Unchecked	IC50	27.4	ug.mL-1	10.1021/jm048952t