(3S,25S)-8,17,18,30-tetramethoxy-4,24-dimethyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.1³,⁷.1²⁷,³¹.0⁹,¹³.0¹⁶,²¹.0²⁰,²⁵.0¹⁴,³⁹]nonatriaconta-1(35),7,9(13),14(39),16,18,20,27,29,31(38),33,36-dodecaene
AlkaPlorer ID: AK098332
Synonym: None
IUPAC Name: (3S,25S)-8,17,18,30-tetramethoxy-4,24-dimethyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(36),7(39),8,13,16(21),17,19,27(38),28,30,33(37),34-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=C(CCN1C)C(OC)=C1OCOC1=C3OC1=C(OC)C(OC)=CC3=C1CCN(C)[C@H]3C2
InChI: InChI=1S/C39H42N2O8/c1-40-15-13-25-27-20-32(43-4)36(45-6)35(25)49-37-33-26(34(44-5)38-39(37)47-21-46-38)14-16-41(2)29(33)17-22-7-10-24(11-8-22)48-31-19-23(18-28(27)40)9-12-30(31)42-3/h7-12,19-20,28-29H,13-18,21H2,1-6H3/t28-,29-/m0/s1
InChIKey: YPVVVGJEVFEYOG-VMPREFPWSA-N
Reference
New dimeric aporphine-benzylisoquinoline alkaloids from Thalictrum faberi
PubChem CID: 181110
CAS: 27764-06-3
LOTUS: LTS0243797
SuperNatural Ⅲ: SN0457038-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum foetidum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 666.7710000000001
TPSA？: 80.32000000000001
MolLogP？: 6.891100000000009
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|