(3S,22S)-10,11,15,16,27-pentamethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1¹⁴,¹⁸.1²⁴,²⁸.0³,⁸.0⁷,¹².0²²,³⁶]hexatriaconta-1(32),7,9,11,14(36),15,17,24(35),25,27,30,33-dodecaene
AlkaPlorer ID: AK250257
Synonym: None
IUPAC Name: (3S,22S)-10,11,15,16,27-pentamethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=CC(OC)=C(OC)C(=C3CCN1C)OC1=C3C(=CC(OC)=C1OC)CCN[C@H]3C2
InChI: InChI=1S/C38H42N2O7/c1-40-16-14-26-27-21-33(43-4)36(44-5)35(26)47-38-34-24(20-32(42-3)37(38)45-6)13-15-39-28(34)17-23-9-12-30(41-2)31(19-23)46-25-10-7-22(8-11-25)18-29(27)40/h7-12,19-21,28-29,39H,13-18H2,1-6H3/t28-,29-/m0/s1
InChIKey: PRWHAZSWUNFUHH-VMPREFPWSA-N
Reference
Isoquinolines from the Roots of Thalictrum flavum L. and Their Evaluation as Antiparasitic Compounds
PubChem CID: 5459005
LOTUS: LTS0161818
SuperNatural Ⅲ: SN0293519-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum flavum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 638.7610000000002
TPSA？: 79.88000000000001
MolLogP？: 6.828800000000008
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|