Naphthomycin A; Dechloro, 30-hydroxy

AlkaPlorer ID: AK307388

Synonym: Naphthomycin D, Thionaphthomycin I

IUPAC Name: 4,10,14,20,34-pentahydroxy-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(34)-decaene-6,18,28,31,32-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(O)=C(N=C(O)C(C)=CC=CC=CC(C)C(O)CC1=O)C3=O

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InChI: InChI=1S/C40H47NO10/c1-20-11-9-8-10-12-23(4)40(51)41-33-37(48)28-18-26(7)36(47)32(31(28)38(49)39(33)50)35(46)25(6)17-24(5)34(45)22(3)14-16-27(42)15-13-21(2)30(44)19-29(20)43/h8-14,16-18,20,22,24,27,29,34,42-43,45,47,50H,15,19H2,1-7H3,(H,41,51)

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InChIKey: QZMPUAGUWYHLAI-UHFFFAOYSA-N

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Reference

COCONUT: CNP0145297.3

Properties Information

Molecule Weight: 701.8130000000003

TPSA: 202.02

MolLogP: 5.849820000000007

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information