Jadomycin T

AlkaPlorer ID: AK011330

Synonym: 'Jadomycin T'

IUPAC Name: (3S,6R)-19-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-3-[(1R)-1-hydroxyethyl]-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione

Structure

SMILES: CC1=CC(O)=C2C3=C(C(=O)C4=C(O[C@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)C=CC=C4C3=O)N3[C@H](OC(=O)[C@@H]3[C@@H](C)O)C2=C1

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InChI: InChI=1S/C28H27NO10/c1-10-7-14-19(15(31)8-10)21-23(29-22(11(2)30)28(36)39-27(14)29)26(35)20-13(25(21)34)5-4-6-17(20)38-18-9-16(32)24(33)12(3)37-18/h4-8,11-12,16,18,22,24,27,30-33H,9H2,1-3H3/t11-,12+,16-,18+,22+,24+,27-/m1/s1

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InChIKey: MJZNHFLLLVVUBU-PHTQOABUSA-N

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Properties Information

Molecule Weight: 537.5210000000002

TPSA: 163.06

MolLogP: 1.34682

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information