Naphthomycin A; Dechloro

AlkaPlorer ID: AK307383

Synonym: Naphthomycin E

IUPAC Name: 4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone

Structure

SMILES: CC1=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(=O)C2=C(O)C(C)=CC3=C2C(=O)C=C(NC(=O)C(C)=CC=CC=CC(C)C(O)CC1=O)C3=O

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InChI: InChI=1S/C40H47NO9/c1-21-11-9-8-10-12-24(4)40(50)41-30-19-33(45)34-29(39(30)49)18-27(7)38(48)35(34)37(47)26(6)17-25(5)36(46)23(3)14-16-28(42)15-13-22(2)32(44)20-31(21)43/h8-14,16-19,21,23,25,28,31,36,42-43,46,48H,15,20H2,1-7H3,(H,41,50)

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InChIKey: IFFKOSSIDVBUOW-UHFFFAOYSA-N

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Reference

PubChem CID: 73833595

COCONUT: CNP0422280.3

Properties Information

Molecule Weight: 685.8140000000003

TPSA: 178.29999999999998

MolLogP: 5.123820000000006

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information