Raupin
AlkaPlorer ID: AK321963
Synonym: None
IUPAC Name: (1S,12R,13R,14R,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
Structure
SMILES: C/C=C1/CN2[C@@H]3CC4=C(NC5=CC=C(O)C=C45)[C@@H]2C[C@@H]1[C@H]3CO
InChI: InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15+,17+,18-/m0/s1
InChIKey: VTVQHYQGTTVKDE-CGNJPCSLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia yunnanensis | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Santalum album | Santalum | Santalaceae | Santalales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 310.39700000000005
TPSA？: 59.49000000000001
MolLogP？: 2.729600000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|