Microsphaerone B; N-(3S-Carboxybutanoyl)
AlkaPlorer ID: AK306658
Synonym: Microsphaerone A
IUPAC Name: (8E,10E)-11-[5-(3-carboxybutanoylcarbamoyl)-4-oxopyran-2-yl]undeca-8,10-dienoic acid
Structure
SMILES: CC(CC(=O)NC(=O)C1=COC(/C=C/C=C/CCCCCCC(=O)O)=CC1=O)C(=O)O
InChI: InChI=1S/C22H27NO8/c1-15(22(29)30)12-19(25)23-21(28)17-14-31-16(13-18(17)24)10-8-6-4-2-3-5-7-9-11-20(26)27/h4,6,8,10,13-15H,2-3,5,7,9,11-12H2,1H3,(H,26,27)(H,29,30)(H,23,25,28)/b6-4+,10-8+
InChIKey: VXFQAPGOPXEMPB-ONNLMXTPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina aerophoba | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 433.4570000000003
TPSA？: 150.98
MolLogP？: 3.0016
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|