(1R,14S)-9,20,21,25,34-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8,10,12(34),18,20,22(33),24,26,31,35-dodecaene
AlkaPlorer ID: AK582401
Synonym: None
IUPAC Name: (1S,14R)-9,20,21,25,34-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Structure
SMILES: COC1=CC2=C3C=C1OC1=C4C(=CC(OC)=C1OC)CCN(C)[C@@H]4CC1=C(OC)C(=C(OC)C=C1)OC1=CC=C(C=C1)C[C@@H]3N(C)CC2
InChI: InChI=1S/C39H44N2O7/c1-40-16-14-24-20-32(43-4)33-22-28(24)29(40)18-23-8-11-27(12-9-23)47-38-31(42-3)13-10-26(36(38)45-6)19-30-35-25(15-17-41(30)2)21-34(44-5)37(46-7)39(35)48-33/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30+/m0/s1
InChIKey: YMMSLIOFAQYUJQ-XZWHSSHBSA-N
Reference
Some Dimeric Benzylisoquinoline Alkaloids With an Unusual Oxygenation Pattern
PubChem CID: 337726
LOTUS: LTS0033207
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis microphylla | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 652.7880000000001
TPSA？: 71.09
MolLogP？: 7.171000000000009
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|