3-Epischelhammerine
AlkaPlorer ID: AK082668
Synonym: ''
IUPAC Name: (1S,19S,20R)-20-methoxy-5,7-dioxa-14-azapentacyclo[12.7.0.01,17.02,10.04,8]henicosa-2,4(8),9,17-tetraen-19-ol
Structure
SMILES: CO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2CCCC1=CC2=C(C=C13)OCO2
InChI: InChI=1S/C19H23NO4/c1-22-18-10-19-13(8-15(18)21)4-6-20(19)5-2-3-12-7-16-17(9-14(12)19)24-11-23-16/h7-9,15,18,21H,2-6,10-11H2,1H3/t15-,18+,19-/m0/s1
InChIKey: FCLDQBDXFYQJPD-IPELMVKDSA-N
Reference
Athrotaxis alkaloids. Part I. Alkaloids of A. Cupressoides
PubChem CID: 101297644
LOTUS: LTS0262174
SuperNatural Ⅲ: SN0081946-01
NPASS: NPC226900
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Athrotaxis cupressoides | Athrotaxis | Cupressaceae | Cupressales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 329.3960000000001
TPSA？: 51.16000000000001
MolLogP？: 1.9685
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|