hordatine B
AlkaPlorer ID: AK034750
Synonym: '', 'Hordatine B'
IUPAC Name: (2S,3R)-N-[4-(diaminomethylideneamino)butyl]-5-[(E)-3-[4-(diaminomethylideneamino)butylamino]-3-oxoprop-1-enyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
Structure
SMILES: COC1=CC(/C=C/C(O)=NCCCCNC(=N)N)=CC2=C1O[C@H](C1=CC=C(O)C=C1)[C@@H]2C(O)=NCCCCNC(=N)N
InChI: InChI=1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6+/t24-,25-/m1/s1
InChIKey: LRLXAXGCQUOKIO-LCIBQWBJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sambucus williamsii | Sambucus | Adoxaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Bipolaris maydis | Bipolaris | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| Rosa woodsii | Rosa | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 580.69
TPSA？: 227.67
MolLogP？: 3.0708400000000013
Number of H-Donors: 9
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|