Scleroderris blue

AlkaPlorer ID: AK313108

Synonym: Bisatrovenetin imine

IUPAC Name: 3,7-dihydroxy-1,8,8,9-tetramethyl-5-[(3,4,7-trihydroxy-1,8,8,9-tetramethyl-6-oxo-9H-phenaleno[1,2-b]furan-5-yl)imino]-9H-phenaleno[1,2-b]furan-4,6-dione

Structure

SMILES: CC1=CC(O)=C2C(=O)C(=NC3=C(O)C4=C(O)C=C(C)C5=C6OC(C)C(C)(C)C6=C(O)C(=C45)C3=O)C(=O)C3=C(O)C4=C(OC(C)C4(C)C)C1=C23

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InChI: InChI=1S/C38H33NO10/c1-11-9-15(40)19-21-17(11)35-25(37(5,6)13(3)48-35)29(42)23(21)33(46)27(31(19)44)39-28-32(45)20-16(41)10-12(2)18-22(20)24(34(28)47)30(43)26-36(18)49-14(4)38(26,7)8/h9-10,13-14,40-44H,1-8H3

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InChIKey: ZPCCYCCUZATFOS-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 663.6790000000002

TPSA: 183.18

MolLogP: 6.492340000000007

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information