Plicacetin; 3'β-Hydroxy

AlkaPlorer ID: AK310732

Synonym: Oxyplicacetin, 3'-Hydroxyplicacetin, Cytosaminomycin E

IUPAC Name: 4-amino-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Structure

SMILES: CC1OC(N2C=CC(=NC(=O)C3=CC=C(N)C=C3)N=C2O)CC(O)C1OC1OC(C)C(N(C)C)C(O)C1O

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InChI: InChI=1S/C25H35N5O8/c1-12-19(29(3)4)20(32)21(33)24(37-12)38-22-13(2)36-18(11-16(22)31)30-10-9-17(28-25(30)35)27-23(34)14-5-7-15(26)8-6-14/h5-10,12-13,16,18-22,24,31-33H,11,26H2,1-4H3,(H,27,28,34,35)

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InChIKey: UYEYXSOGZWDEFY-UHFFFAOYSA-N

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Reference

PubChem CID: 146156176

COCONUT: CNP0334478.1

Source

Properties Information

Molecule Weight: 533.5820000000003

TPSA: 185.12

MolLogP: -0.6376999999999978

Number of H-Donors: 5

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information