Crambescin A
AlkaPlorer ID: AK155093
Synonym: '(+)-Crambescin A'
IUPAC Name: 4-(diaminomethylideneamino)butyl (3R)-1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
Structure
SMILES: CCCCCCCCCCC[C@H]1NC(=N)N2CCCC2=C1C(=O)OCCCCNC(=N)N
InChI: InChI=1S/C24H44N6O2/c1-2-3-4-5-6-7-8-9-10-14-19-21(20-15-13-17-30(20)24(27)29-19)22(31)32-18-12-11-16-28-23(25)26/h19H,2-18H2,1H3,(H2,27,29)(H4,25,26,28)/t19-/m1/s1
InChIKey: LNRWFIMDKWPBJL-LJQANCHMSA-N
Reference
Two new guanidine alkaloids from the mediterranean sponge crambe crambe.
PubChem CID: 162886997
LOTUS: LTS0258041
SuperNatural Ⅲ: SN0210538-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crambe crambe | Crambe (in: sponges) | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 448.6560000000004
TPSA？: 127.32
MolLogP？: 3.970240000000001
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|