kabiramide D
AlkaPlorer ID: AK004664
Synonym: 'kabiramide D', '101550-95-2', 'N-{(1E,3R,4R,5R,9S,10S)-11-(10R,11S,12S,14S,16S,20S,21R,22S,24E)-12,16-Dihydroxy-10,22-dimethoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo24.2.1.12,5.16,9hentriacon ta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl-4,10-dimethoxy-3,5,9-trimethyl-6-oxo-1-undecen-1-yl}-N-methylformamide'
IUPAC Name: N-[(3R,4R,5R,9S,10S)-11-[(10R,11S,12S,14S,16S,20S,21R,22S)-12,16-dihydroxy-10,22-dimethoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-4,10-dimethoxy-3,5,9-trimethyl-6-oxoundec-1-enyl]-N-methylformamide
Structure
SMILES: CO[C@H]([C@H](C)C=CN(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)C=CC[C@H](OC)[C@H]1C)OC
InChI: InChI=1S/C47H70N4O13/c1-27-19-33(53)21-43(56)64-41(22-40(58-9)28(2)15-16-37(54)30(4)44(59-10)29(3)17-18-51(7)26-52)32(6)39(57-8)13-12-14-42-48-35(24-61-42)46-50-36(25-63-46)47-49-34(23-62-47)45(60-11)31(5)38(55)20-27/h12,14,17-18,23-33,38-41,44-45,53,55H,13,15-16,19-22H2,1-11H3/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+/m0/s1
InChIKey: MHMMVHZHFBPYJC-KFROEDSTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colchicum szovitsii | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Brassica napus | Brassica | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 899.092
TPSA？: 219.14999999999992
MolLogP？: 7.095800000000008
Number of H-Donors: 2
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|