Roccanin
AlkaPlorer ID: AK312601
Synonym: Cyclic(D-3-phenyl-β-alanyl-L-prolyl-D-3-phenyl-β-alanyl-L-prolyl)
IUPAC Name: 4,14-diphenyl-1,5,11,15-tetrazatricyclo[15.3.0.07,11]icosane-2,6,12,16-tetrone
Structure
SMILES: O=C1CC(C2=CC=CC=C2)N=C(O)C2CCCN2C(=O)CC(C2=CC=CC=C2)N=C(O)C2CCCN12
InChI: InChI=1S/C28H32N4O4/c33-25-17-21(19-9-3-1-4-10-19)29-27(35)23-13-7-16-32(23)26(34)18-22(20-11-5-2-6-12-20)30-28(36)24-14-8-15-31(24)25/h1-6,9-12,21-24H,7-8,13-18H2,(H,29,35)(H,30,36)
InChIKey: PDLPVRYEPINIBU-UHFFFAOYSA-N
Reference
Chemical studies on lichens—XXXIII
PubChem CID: 12315006
LOTUS: LTS0242610
COCONUT: CNP0366972.2
{NPAtlas: NPA002500
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Roccella canariensis | Roccella | Roccellaceae | Arthoniales | Arthoniomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 488.58800000000025
TPSA？: 105.8
MolLogP？: 4.157800000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|