Caulerpin
AlkaPlorer ID: AK046104
Synonym: None
IUPAC Name: dimethyl 11,22-diazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2,13-dicarboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C2=CC(C(=O)OC)=C2NC3=CC=CC=C3C2=C1
InChI: InChI=1S/C24H18N2O4/c1-29-23(27)17-11-15-13-7-3-6-10-20(13)26-22(15)18(24(28)30-2)12-16-14-8-4-5-9-19(14)25-21(16)17/h3-12,25-26H,1-2H3
InChIKey: PVWALMHWUOWPPA-UHFFFAOYSA-N
Reference
Metabolites of the green algae, Caulerpa species
PubChem CID: 6712907
CAS: 26612-48-6
LOTUS: LTS0160682
COCONUT: CNP0147805
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae | Bryopsidales | Ulvophyceae | Chlorophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 398.4180000000001
TPSA？: 84.18
MolLogP？: 0.5713999999999995
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|