Natacyn

AlkaPlorer ID: AK013802

Synonym: '', 'pimaricin', 'Natacyn', 'Pimaricin'

IUPAC Name: (1R,3S,5S,7R,8Z,12R,14Z,16E,18E,20E,22R,25R,26S)-22-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid

Structure

SMILES: C[C@@H]1C/C=C\C=C\C=C\C=C\[C@H](OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2O[C@](O)(C[C@@H](O)C[C@@H]3O[C@@H]3/C=C\C(=O)O1)C[C@H](O)[C@H]2C(=O)O

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InChI: InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6-,11-9+,13-12-/t18-,19-,20+,21+,22+,23-,24+,25?,27-,28+,29-,30+,32?,33-/m1/s1

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InChIKey: NCXMLFZGDNKEPB-CLAGICMWSA-N

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Source

Properties Information

Molecule Weight: 665.7330000000004

TPSA: 230.98999999999995

MolLogP: 0.1197000000000032

Number of H-Donors: 7

Number of H-Acceptors: 13

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information