None

AlkaPlorer ID: AK321731

Synonym: None

IUPAC Name: None

Structure

SMILES: CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(C)=C(C=C4N=C(C=C5[N-]C(=CC1=N2)C(CCC(=O)O)C5(C)CC(=O)O)C(CCC(=O)O)C4(C)CC(=O)O)[N-]3

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InChI: InChI=1S/C40H46N4O12/c1-19-21(5-9-33(45)46)27-14-28-22(6-10-34(47)48)20(2)26(42-28)15-31-40(4,18-38(55)56)24(8-12-36(51)52)30(44-31)16-32-39(3,17-37(53)54)23(7-11-35(49)50)29(43-32)13-25(19)41-27/h13-16,23-24H,5-12,17-18H2,1-4H3,(H8,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56)/p-2

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InChIKey: QARYGLRRROLOBN-UHFFFAOYSA-L

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Reference

Properties Information

Molecule Weight: 772.808

TPSA: 277.78

MolLogP: 5.178520000000003

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information