2-[(4R)-7,16-dimethoxy-5,12-dioxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,13,15-hexaen-4-yl]propan-2-ol
AlkaPlorer ID: AK136976
Synonym: None
IUPAC Name: 2-[(4R)-7,16-dimethoxy-5,12-dioxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1,6,8,10,13,15-hexaen-4-yl]propan-2-ol
Structure
SMILES: COC1=CC2=NC3=C(C=CO3)C(OC)=C2C2=C1O[C@@H](C(C)(C)O)C2
InChI: InChI=1S/C18H19NO5/c1-18(2,20)13-7-10-14-11(8-12(21-3)15(10)24-13)19-17-9(5-6-23-17)16(14)22-4/h5-6,8,13,20H,7H2,1-4H3/t13-/m1/s1
InChIKey: OCKCNDIOPSOBNM-CYBMUJFWSA-N
Reference
Synthesis, structure and stereochemistry of quinoline alkaloids from Choisya ternata
PubChem CID: 162871928
LOTUS: LTS0212377
SuperNatural Ⅲ: SN0261585-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Choisya ternata | Choisya | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 329.3520000000001
TPSA？: 73.95000000000002
MolLogP？: 3.0726000000000013
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|