Molecule

Apicidin C

AlkaPlorer ID: AK030436

Synonym: None

IUPAC Name: (3S,6S,9S,12R)-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-3-propan-2-yl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Structure

SMILES: CCC(=O)CCCCC[C@@H]1N=C(O)[C@H]2CCCCN2C(=O)[C@H](C(C)C)N=C(O)[C@H](CC2=CN(OC)C3=CC=CC=C23)N=C1O

InChI: InChI=1S/C33H47N5O6/c1-5-23(39)13-7-6-8-15-25-30(40)35-26(19-22-20-38(44-4)27-16-10-9-14-24(22)27)31(41)36-29(21(2)3)33(43)37-18-12-11-17-28(37)32(42)34-25/h9-10,14,16,20-21,25-26,28-29H,5-8,11-13,15,17-19H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t25-,26-,28+,29-/m0/s1

InChIKey: GWLHFNKLJRZBAI-KGKLHAENSA-N

Reference

Structure and Chemistry of Apicidins, a Class of Novel Cyclic Tetrapeptides without a Terminal α-Keto Epoxide as Inhibitors of Histone Deacetylase with Potent Antiprotozoal Activities

PubChem CID: 9873674

LOTUS: LTS0008064

SuperNatural Ⅲ: SN0117175-01

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NPAtlas: NPA012028

Source

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

Properties Information

Molecule Weight: 609.7680000000003

TPSA？: 149.31

MolLogP？: 5.197800000000004

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi