Neobonellin
AlkaPlorer ID: AK307529
Synonym: None
IUPAC Name: 2-[3-[18-(2-carboxyethyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propanoylamino]-3-methylpentanoic acid
Structure
SMILES: CCC(C)C(NC(=O)CCC1C2=CC3=C(CCC(=O)O)C(C)=C(C=C4C=C(C)C(=N4)C=C4C=C(C)C(=CC(=N2)C1(C)C)N4)N3)C(=O)O
InChI: InChI=1S/C37H45N5O5/c1-8-19(2)35(36(46)47)42-33(43)11-10-26-31-17-30-25(9-12-34(44)45)22(5)29(40-30)16-24-13-20(3)27(38-24)15-23-14-21(4)28(39-23)18-32(41-31)37(26,6)7/h13-19,26,35,39-40H,8-12H2,1-7H3,(H,42,43)(H,44,45)(H,46,47)
InChIKey: LLMLROWZNRMKPX-UHFFFAOYSA-N
Reference
CAS: 69257-05-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bonellia viridis | Bonellia | Bonelliidae | Echiuroidea | Polychaeta | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 639.7970000000001
TPSA？: 161.05999999999997
MolLogP？: 6.966440000000006
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|