cristanine B
AlkaPlorer ID: AK175168
Synonym: None
IUPAC Name: (1R,15R,18R,19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraene-15,18-diol
Structure
SMILES: CO[C@@H]1C[C@@]23C(=C[C@H]1O)[C@@H](O)CN2CCC1=CC2=C(C=C13)OCO2
InChI: InChI=1S/C18H21NO5/c1-22-17-7-18-11-6-16-15(23-9-24-16)4-10(11)2-3-19(18)8-14(21)12(18)5-13(17)20/h4-6,13-14,17,20-21H,2-3,7-9H2,1H3/t13-,14+,17-,18-/m1/s1
InChIKey: BKGMQYBWYBLLRH-LTCOOKNTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrina crista-galli | Erythrina | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.3680000000001
TPSA？: 71.39
MolLogP？: 0.5491999999999997
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|