UNPD162444
AlkaPlorer ID: AK522746
Synonym: None
IUPAC Name: methyl (1R,9R,12R,13E,18S)-13-ethylidene-5-[(1R,9R,10S,12R,13E,16S,17R)-13-ethylidene-5-methoxy-8-methyl-18-oxo-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-4-yl]-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-triene-18-carboxylate
Structure
SMILES: C/C=C1/CN2[C@H]3C[C@]45C(=O)[C@@H]3[C@H]1C[C@H]2[C@@H]4N(C)C1=C5C=C(C2=CC3=N[C@@]45CC[C@H]6/C(=C\C)CN4CC[C@]5(C3=CC2=O)[C@H]6C(=O)OC)C(OC)=C1
InChI: InChI=1S/C41H44N4O5/c1-6-20-18-44-11-10-40-26-15-32(46)24(13-28(26)42-41(40,44)9-8-22(20)35(40)38(48)50-5)25-12-27-29(16-33(25)49-4)43(3)36-30-14-23-21(7-2)19-45(30)31-17-39(27,36)37(47)34(23)31/h6-7,12-13,15-16,22-23,30-31,34-36H,8-11,14,17-19H2,1-5H3/b20-6-,21-7-/t22-,23-,30-,31-,34+,35+,36-,39+,40-,41-/m0/s1
InChIKey: SJBSCGJKIAGAAP-GBRNIZCKSA-N
Reference
Novel Indole Alkaloids from the Leaves of Rauwolfia sumatrana JACK. in Thailand.
PubChem CID: 102274937
LOTUS: LTS0012636
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rauvolfia sumatrana | Rauvolfia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 672.8260000000004
TPSA？: 91.75
MolLogP？: 4.267600000000003
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|