melotenuine A

AlkaPlorer ID: AK010707

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C1[C@]2(C([C@H]3C)=O)C[C@@]3([C@@H]45)C=CCN5CC[C@]24C6=CC(CC(C=C7[C@@]89CCN%10CC=C[C@@](C%11)([C@@H]9%10)CC)=C(OC)C=C7NC8=C%11C(OC)=O)=CC=C6N1

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InChI: InChI=1S/C43H46N4O5/c1-5-39-10-6-14-46-16-12-41(36(39)46)28-20-26(32(51-3)21-31(28)44-33(41)27(22-39)35(49)52-4)18-25-8-9-30-29(19-25)42-13-17-47-15-7-11-40(37(42)47)23-43(42,38(50)45-30)34(48)24(40)2/h6-11,19-21,24,36-37,44H,5,12-18,22-23H2,1-4H3,(H,45,50)/t24-,36+,37+,39+,40+,41+,42-,43-/m1/s1

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InChIKey: KJNGMSMMGIKGFM-QJALMAOYSA-N

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Properties Information

Molecule Weight: 698.8640000000003

TPSA: 100.21000000000001

MolLogP: 5.249900000000005

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information