(3S,22S)-10,11,15,16-tetramethoxy-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-dodecaen-27-ol
AlkaPlorer ID: AK129204
Synonym: None
IUPAC Name: (3S,22S)-10,11,15,16-tetramethoxy-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-dodecaen-27-ol
Structure
SMILES: COC1=CC2=C3CCN(C)[C@H]2CC2=CC=C(C=C2)OC2=CC(=CC=C2O)C[C@@H]2NCCC4=C2C(=C(OC)C(OC)=C4)OC3=C1OC
InChI: InChI=1S/C37H40N2O7/c1-39-15-13-25-26-20-32(42-3)35(43-4)34(25)46-37-33-23(19-31(41-2)36(37)44-5)12-14-38-27(33)16-22-8-11-29(40)30(18-22)45-24-9-6-21(7-10-24)17-28(26)39/h6-11,18-20,27-28,38,40H,12-17H2,1-5H3/t27-,28-/m0/s1
InChIKey: UUNKEDXSVBOYIU-NSOVKSMOSA-N
Reference
Isoquinolines from the Roots of Thalictrum flavum L. and Their Evaluation as Antiparasitic Compounds
PubChem CID: 162918640
LOTUS: LTS0178617
SuperNatural Ⅲ: SN0380502-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum flavum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 624.7340000000004
TPSA？: 90.88000000000002
MolLogP？: 6.525800000000008
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|