Aplysioviolin
AlkaPlorer ID: AK259412
Synonym: Phycobiliviolin monomethyl ester, Phycoerythrobilin monomethyl ester, Aplysiaviolin
IUPAC Name: 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethylidene-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
Structure
SMILES: C=CC1=C(C)C(CC2=NC(=CC3=C(CCC(=O)O)C(C)=C(C=C4NC(=O)C(C)C4=CC)N3)C(CCC(=O)OC)=C2C)NC1=O
InChI: InChI=1S/C34H40N4O6/c1-8-21-20(6)33(42)38-28(21)15-26-18(4)23(10-12-31(39)40)29(36-26)16-30-24(11-13-32(41)44-7)19(5)25(35-30)14-27-17(3)22(9-2)34(43)37-27/h8-9,15-16,20,27,36H,2,10-14H2,1,3-7H3,(H,37,43)(H,38,42)(H,39,40)
InChIKey: LRRIZWZXIPMAIM-UHFFFAOYSA-N
Reference
COCONUT: CNP0130719
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Aplysia dactylomela | Aplysia | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 600.7160000000001
TPSA？: 149.94999999999996
MolLogP？: 4.849620000000003
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|