Aureonuclemycin; 9'-Deoxy, 8'-hydroxy, 2'-Me ether, Me ester

AlkaPlorer ID: AK289770

Synonym: 9'-Deoxy-8'-hydroxyherbicidin B, 9'-Deoxy-8',8'-dihydroxyherbicidin B (incorr.), 3-Deoxy-4-hydroxyherbicidin B

IUPAC Name: methyl 5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

Structure

SMILES: COC(=O)C1CC(O)(O)C2(O)OC3C(CC2O1)OC(N1C=NC2=C(N)N=CN=C21)C3OC

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InChI: InChI=1S/C18H23N5O9/c1-28-12-11-7(31-15(12)23-6-22-10-13(19)20-5-21-14(10)23)3-9-18(27,32-11)17(25,26)4-8(30-9)16(24)29-2/h5-9,11-12,15,25-27H,3-4H2,1-2H3,(H2,19,20,21)

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InChIKey: AZYCCECPGKXFKD-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 453.4080000000002

TPSA: 193.53

MolLogP: -2.1901999999999955

Number of H-Donors: 4

Number of H-Acceptors: 14

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information