Ianthelliformisamine C
AlkaPlorer ID: AK112043
Synonym: None
IUPAC Name: 3-(3,5-dibromo-4-methoxyphenyl)-N-[3-[4-[3-[3-(3,5-dibromo-4-methoxyphenyl)prop-2-enoylamino]propylamino]butylamino]propyl]prop-2-enamide
Structure
SMILES: COC1=C(Br)C=C(C=CC(=O)NCCCNCCCCNCCCNC(=O)C=CC2=CC(Br)=C(OC)C(Br)=C2)C=C1Br
InChI: InChI=1S/C30H38Br4N4O4/c1-41-29-23(31)17-21(18-24(29)32)7-9-27(39)37-15-5-13-35-11-3-4-12-36-14-6-16-38-28(40)10-8-22-19-25(33)30(42-2)26(34)20-22/h7-10,17-20,35-36H,3-6,11-16H2,1-2H3,(H,37,39)(H,38,40)
InChIKey: YHBLZPCROBSJLL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberea ianthelliformis | Suberea | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 838.2740000000002
TPSA？: 100.72
MolLogP？: 6.452400000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|