Juvenimicin B1 

AlkaPlorer ID: AK303382

Synonym: 12,13-Deepoxy-12,13-didehydro-20-deoxo-4'-deoxy-20-hydroxycirramycin A1, Izenamicin B1, M 4365G3, Antibiotic M 4365G3, T 1124B1, Antibiotic T 1124B1 

IUPAC Name: 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-7-(2-hydroxyethyl)-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Structure

SMILES: CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CCO)CC(C)C(=O)C=CC(C)=CC1C

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InChI: InChI=1S/C31H53NO8/c1-9-27-20(4)14-18(2)10-11-25(34)19(3)15-23(12-13-33)30(22(6)26(35)17-28(36)39-27)40-31-29(37)24(32(7)8)16-21(5)38-31/h10-11,14,19-24,26-27,29-31,33,35,37H,9,12-13,15-17H2,1-8H3

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InChIKey: KOARRXOZPWLCJM-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 567.7640000000004

TPSA: 125.76000000000002

MolLogP: 3.252600000000002

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information