Cyclombandakamine A1 

AlkaPlorer ID: AK293692

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1=CC=C2C3=C4CC(C)N(C)C(C)C4=C(OC)C=C3OC34C5=C(OC3(C)CC(=O)C1=C24)C1=C(OC)C=C(C)C=C1C(C1=C(O)C=C(OC)C2=C1CC(C)NC2C)=C5

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InChI: InChI=1S/C49H52N2O8/c1-22-14-28-29(42-30-16-23(2)50-25(4)40(30)37(56-10)19-33(42)52)18-32-47(44(28)36(15-22)55-9)59-48(6)21-34(53)45-35(54-8)13-12-27-43-31-17-24(3)51(7)26(5)41(31)38(57-11)20-39(43)58-49(32,48)46(27)45/h12-15,18-20,23-26,50,52H,16-17,21H2,1-11H3

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InChIKey: HQVJQDWDQGIBMK-UHFFFAOYSA-N

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Reference

CAS: 2093188-83-9

Properties Information

Molecule Weight: 796.9610000000001

TPSA: 107.95000000000002

MolLogP: 9.128320000000004

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information