Repandine
AlkaPlorer ID: AK308302
Synonym: 6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol
IUPAC Name: 20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
Structure
SMILES: COC1=CC2=C3C=C1OC1=C4C(=CC(OC)=C1OC)CCN(C)C4CC1=CC=C(C=C1)OC1=CC(=CC=C1O)CC3N(C)CC2
InChI: InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
InChIKey: HGNHIFJNOKGSKI-UHFFFAOYSA-N
Reference
Berberis alkaloids XIII. An investigation of the alkaloids of Berberis heteropoda
PubChem CID: 371257
CAS: 548-40-3
LOTUS: LTS0182870
COCONUT: CNP0153582.6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphnandra johnsonii | Daphnandra | Atherospermataceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.735
TPSA？: 72.86
MolLogP？: 6.859400000000009
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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