Pradimicin O

AlkaPlorer ID: AK124978

Synonym: ''

IUPAC Name: (2R)-2-[[(5R)-1,5,9,14-tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

Structure

SMILES: COC1=CC(O)=C2C(=O)C3=C(OC)C4=C(C(O)=C3C(=O)C2=C1)C1=C(O)C(C(O)=N[C@H](C)C(=O)O)=C(C)C=C1[C@H](O)C4

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InChI: InChI=1S/C29H25NO11/c1-9-5-12-15(31)8-14-20(19(12)24(34)17(9)28(37)30-10(2)29(38)39)26(36)21-22(27(14)41-4)25(35)18-13(23(21)33)6-11(40-3)7-16(18)32/h5-7,10,15,31-32,34,36H,8H2,1-4H3,(H,30,37)(H,38,39)/t10-,15-/m1/s1

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InChIKey: BBIMHVVAVXBCFV-MEBBXXQBSA-N

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Properties Information

Molecule Weight: 563.5150000000002

TPSA: 203.41

MolLogP: 2.93862

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information