Heyneanine
AlkaPlorer ID: AK029928
Synonym: None
IUPAC Name: (1S)-1-[(1R,15R,17R,18R)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-17-yl]ethanol
Structure
SMILES: C[C@H](O)[C@@H]1C[C@H]2C[C@H]3C4=C(CCN(C2)[C@@H]13)C1=CC=CC=C1N4
InChI: InChI=1S/C19H24N2O/c1-11(22)15-8-12-9-16-18-14(6-7-21(10-12)19(15)16)13-4-2-3-5-17(13)20-18/h2-5,11-12,15-16,19-20,22H,6-10H2,1H3/t11-,12-,15-,16-,19-/m0/s1
InChIKey: TVPHSOXWTLOHCG-CCISYGEFSA-N
Reference
Alkaloids and other compounds from seeds of Tabernaemontana cymosa
PubChem CID: 44566758
LOTUS: LTS0116732
NPASS: NPC329688
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana calcarea | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tabernaemontana bufalina | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 296.414
TPSA？: 39.26
MolLogP？: 2.8988000000000005
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 10.7 | ug.mL-1 | 10.1021/np020548e |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/acs.jnatprod.5b00051 |