4-[(1E)-2-{[3-({4-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}amino)propyl]carbamoyl}eth-1-en-1-yl]phenyl (2S)-2-{8-[(acetyloxy)methyl]-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoate
AlkaPlorer ID: AK349277
Synonym: None
IUPAC Name: [4-[(E)-3-[3-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butylamino]propylamino]-3-oxoprop-1-enyl]phenyl] (2S)-2-[8-(acetyloxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate
Structure
SMILES: CC[C@@](O)(C(=O)OC1=CC=C(/C=C/C(O)=NCCCNCCCCN=C(O)/C=C/C2=CC=C(O)C=C2)C=C1)C1=C(COC(C)=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1
InChI: InChI=1S/C47H49N5O9/c1-3-47(59,39-28-41-44-35(27-34-9-4-5-10-40(34)51-44)29-52(41)45(57)38(39)30-60-31(2)53)46(58)61-37-19-13-33(14-20-37)16-22-43(56)50-26-8-24-48-23-6-7-25-49-42(55)21-15-32-11-17-36(54)18-12-32/h4-5,9-22,27-28,48,54,59H,3,6-8,23-26,29-30H2,1-2H3,(H,49,55)(H,50,56)/b21-15+,22-16+/t47-/m0/s1
InChIKey: BWFNZIXETJNOGM-YFRDCDKQSA-N
Reference
Constituents of Nothapodytes foetida
PubChem CID: 9940744
LOTUS: LTS0029165
SuperNatural Ⅲ: SN0037186-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nothapodytes nimmoniana | Nothapodytes | Icacinaceae | Icacinales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 827.9349999999998
TPSA？: 205.16
MolLogP？: 6.796600000000008
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|