retamycin

AlkaPlorer ID: AK039915

Synonym: 'Retamycin'

IUPAC Name: 10-[4-(dimethylamino)-5-[5-(5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-methyloxan-2-yl]-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Structure

SMILES: CCC1(O)CCC2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2C1OC1CC(N(C)C)C(C2CCC(OC3CC(C)C(O)C(C)O3)C(C)O2)C(C)O1

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InChI: InChI=1S/C41H55NO12/c1-8-41(49)15-14-23-32(39(48)34-33(37(23)46)38(47)31-22(36(34)45)10-9-11-25(31)43)40(41)54-29-17-24(42(6)7)30(20(4)51-29)27-13-12-26(19(3)50-27)53-28-16-18(2)35(44)21(5)52-28/h9-11,18-21,24,26-30,35,40,43-44,46,48-49H,8,12-17H2,1-7H3

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InChIKey: RNMSCXFBAKGIJY-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 753.8860000000003

TPSA: 184.68

MolLogP: 4.4897000000000045

Number of H-Donors: 5

Number of H-Acceptors: 13

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information