Crambescin C1
AlkaPlorer ID: AK161703
Synonym: Crambine C1
IUPAC Name: 7-(diaminomethylideneamino)heptyl 2-amino-6-(3-hydroxypropyl)-4-nonyl-1,4-dihydropyrimidine-5-carboxylate
Structure
SMILES: CCCCCCCCCC1N=C(N)NC(CCCO)=C1C(=O)OCCCCCCCNC(=N)N
InChI: InChI=1S/C25H48N6O3/c1-2-3-4-5-6-8-11-15-20-22(21(16-14-18-32)31-25(28)30-20)23(33)34-19-13-10-7-9-12-17-29-24(26)27/h20,32H,2-19H2,1H3,(H4,26,27,29)(H3,28,30,31)
InChIKey: WUUWQLVVDDWNMI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crambe crambe | Crambe (in: sponges) | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 480.6980000000004
TPSA？: 158.84000000000003
MolLogP？: 3.416970000000002
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|