(+)-Calcaridine A
AlkaPlorer ID: AK012383
Synonym: '', '(+)-Calcaridine A'
IUPAC Name: (5R)-2-amino-5-[(4-hydroxyphenyl)methyl]-5-[(S)-methoxy-(4-methoxyphenyl)methyl]-3-methylimidazol-4-one
Structure
SMILES: COC1=CC=C([C@H](OC)[C@@]2(CC3=CC=C(O)C=C3)NC(=N)N(C)C2=O)C=C1
InChI: InChI=1S/C20H23N3O4/c1-23-18(25)20(22-19(23)21,12-13-4-8-15(24)9-5-13)17(27-3)14-6-10-16(26-2)11-7-14/h4-11,17,24H,12H2,1-3H3,(H2,21,22)/t17-,20+/m0/s1
InChIKey: FAYFCBWGLAQMRS-FXAWDEMLSA-N
Reference
Uniquely Modified Imidazole Alkaloids from a Calcareous <i>Leucetta </i>Sponge
PubChem CID: 25138424
CAS: 568561-14-8
LOTUS: LTS0232207
SuperNatural Ⅲ: SN0080799-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Leucettidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 369.4210000000001
TPSA？: 94.88
MolLogP？: 2.06617
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3