(1R,14S)-20,25-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18,20,22(33),24,26,31,34-dodecaene-6,21-diol
AlkaPlorer ID: AK332799
Synonym: None
IUPAC Name: 20,25-dimethoxy-15-methyl-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-dodecaene-6,21-diol
Structure
SMILES: COC1=C2C=C3C(=C1)CCNC3CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)CC1C3=C(C=C(OC)C(O)=C3O2)CCN1C
InChI: InChI=1S/C35H36N2O6/c1-37-13-11-23-18-32(41-3)34(39)35-33(23)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-25-19-31(43-35)30(40-2)17-22(25)10-12-36-26/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3
InChIKey: AKGWXHYTRBFUAD-UHFFFAOYSA-N
Reference
139. Alkaloids of Daphnandra species. Part IV. Observations on repanduline
PubChem CID: 5201703
CAS: 479-36-7
LOTUS: LTS0142539
COCONUT: CNP0316473.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphnandra micrantha | Daphnandra | Atherospermataceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 580.681
TPSA？: 92.65
MolLogP？: 6.214200000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|