(11S,17R,18R)-17-(4-hydroxy-3-methoxyphenyl)-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2¹²,¹⁵.0¹⁴,¹⁸]heptacosa-12,14,26-triene-19,24-dione
AlkaPlorer ID: AK165349
Synonym: None
IUPAC Name: (11S,17R,18R)-17-(4-hydroxy-3-methoxyphenyl)-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione
Structure
SMILES: COC1=CC([C@@H]2OC3=CC=C4C=C3[C@H]2C(=O)N2CCCCNCCCN[C@H]4CC(O)=NCCC2)=CC=C1O
InChI: InChI=1S/C29H38N4O5/c1-37-25-17-20(6-8-23(25)34)28-27-21-16-19(7-9-24(21)38-28)22-18-26(35)32-13-5-15-33(29(27)36)14-3-2-10-30-11-4-12-31-22/h6-9,16-17,22,27-28,30-31,34H,2-5,10-15,18H2,1H3,(H,32,35)/t22-,27+,28-/m0/s1
InChIKey: OZQWWKNRYQISEO-ZGOJTZKKSA-N
Reference
The Spermine Alkaloids of<i>Chaenorhinum minus</i>
PubChem CID: 156055
CAS: 71327-57-6
LOTUS: LTS0130905
SuperNatural Ⅲ: SN0279474-02
NPASS: NPC309501
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ephedra sinica | Ephedra | Ephedraceae | Ephedrales | Gnetopsida | Streptophyta | Viridiplantae | Eukaryota |
| Entada phaseoloides | Entada | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ephedra sp. | Ephedra | Ephedraceae | Ephedrales | Gnetopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 522.6460000000004
TPSA？: 115.65
MolLogP？: 3.6012000000000026
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|