(1S,14S)-21-hydroxy-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24,26,31,35-dodecaen-30-ium-30-olate
AlkaPlorer ID: AK321912
Synonym: None
IUPAC Name: (1R,14R,30R)-9,20,25-trimethoxy-15,30-dimethyl-30-oxido-7,23-dioxa-15-aza-30-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@@H]1C3=CC(=C(OC)C=C3CC[N@@+]1(C)[O-])OC1=C(O)C(OC)=CC3=C1[C@@H](C2)N(C)CC3
InChI: InChI=1S/C37H40N2O7/c1-38-14-12-25-20-34(44-5)36(40)37-35(25)28(38)16-23-8-11-30(42-3)32(18-23)45-26-9-6-22(7-10-26)17-29-27-21-33(46-37)31(43-4)19-24(27)13-15-39(29,2)41/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-,39-/m1/s1
InChIKey: UHNJSPPHBVEANW-SYHDGPRRSA-N
Reference
Benzylisoquinoline Alkaloids from Anisocycla jollyana Leaves
PubChem CID: 163185972
LOTUS: LTS0013949
NPASS: NPC39796
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salvia jaminiana | Salvia | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stratiotes aloides | Stratiotes | Hydrocharitaceae | Alismatales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Streptomyces lividus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 624.734
TPSA？: 92.68
MolLogP？: 6.872000000000009
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|