lumutinine A
AlkaPlorer ID: AK007557
Synonym: None
IUPAC Name: 1-[(1S,2R,5S,12S,14R,19R,20S,27S,28R,30S)-5,10,32,41,42-pentamethyl-4,6,17-trioxa-10,32,41,42-tetrazaundecacyclo[28.10.1.112,20.02,28.05,27.07,25.09,23.011,22.014,19.031,39.033,38]dotetraconta-7,9(23),11(22),15,24,31(39),33,35,37-nonaen-15-yl]ethanone
Structure
SMILES: CC(=O)C1=COC[C@@H]2[C@H]1C[C@H]3C4=C(C[C@@H]2N3C)C5=C(N4C)C=C6C(=C5)C[C@H]7[C@@H]8C[C@H]9C1=C(C[C@@H]([C@@H]8CO[C@]7(O6)C)N9C)C2=CC=CC=C2N1C
InChI: InChI=1S/C42H48N4O4/c1-21(47)29-18-48-19-30-24(29)13-37-41-28(16-34(30)43(37)3)26-11-22-12-32-25-14-38-40-27(23-9-7-8-10-33(23)45(40)5)15-35(44(38)4)31(25)20-49-42(32,2)50-39(22)17-36(26)46(41)6/h7-11,17-18,24-25,30-32,34-35,37-38H,12-16,19-20H2,1-6H3/t24-,25+,30+,31+,32-,34-,35-,37-,38-,42-/m0/s1
InChIKey: YDYVUBYOCQJUBQ-LMLFJIIXSA-N
Reference
PubChem CID: 56926298
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 672.8700000000001
TPSA？: 61.10000000000001
MolLogP？: 6.238200000000007
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|