None
AlkaPlorer ID: AK591154
Synonym: None
IUPAC Name: (1S,2R,4R,12S,18R)-14,14,18-trimethyl-10-[(1S,2R,4R,15S,18R)-14,14,18-trimethyl-16-oxo-5,13-diazahexacyclo[13.3.1.02,13.04,12.04,18.06,11]nonadeca-6,8,10-trien-5-yl]-5,13-diazahexacyclo[13.3.1.02,13.04,12.04,18.06,11]nonadeca-6(11),7,9-trien-16-one
Structure
SMILES: CC1(C)C2C[C@@H]3[C@H]4C[C@@]5(NC6=CC=CC(N7C8=CC=CC=C8C8N9[C@@H]%10C[C@@]87[C@]7(C)CC(=O)[C@@H](C[C@H]%107)C9(C)C)=C6[C@@H]5N41)[C@]3(C)CC2=O
InChI: InChI=1S/C40H46N4O2/c1-35(2)24-15-22-29-17-40(38(22,6)19-31(24)46)33(43(29)35)20-10-7-8-12-26(20)42(40)27-13-9-11-25-32(27)34-39(41-25)16-28-21-14-23(36(3,4)44(28)34)30(45)18-37(21,39)5/h7-13,21-24,28-29,33-34,41H,14-19H2,1-6H3/t21-,22-,23?,24-,28-,29-,33?,34+,37-,38-,39+,40+/m1/s1
InChIKey: ZHHFRVSAZUOIGB-GPQJTZMNSA-N
Reference
Novel dimeric indole alkaloids from Aristotelia australasica. Structural determination and synthesis
PubChem CID: 102149875
LOTUS: LTS0231967
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristotelia australasica | Aristotelia | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 614.8340000000002
TPSA？: 55.89
MolLogP？: 6.787000000000007
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|