carminomycin

AlkaPlorer ID: AK573300

Synonym: None

IUPAC Name: (9S)-9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Structure

SMILES: CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=C(O)C=CC=C4C3=O)C(O)=C2C(OC2CC(N)C(O)C(C)O2)C1

copy

InChI: InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9?,13?,15?,16?,21?,26-/m0/s1

copy

InChIKey: XREUEWVEMYWFFA-LJSVEWHCSA-N

copy

Properties Information

Molecule Weight: 513.4990000000003

TPSA: 196.84

MolLogP: 0.7258999999999998

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information