UNPD23075
AlkaPlorer ID: AK319442
Synonym: None
IUPAC Name: methyl (1R,9R,10S,12R,13E,18R)-13-ethylidene-4-[(8R,13E,14S,16S,17R,18S)-13-ethylidene-18-methoxycarbonyl-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6-trien-17-yl]-5-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6-triene-18-carboxylate
Structure
SMILES: C/C=C1/CN2CC[C@@H]3C4=CC=CC=C4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34C1=CC2=C(C=C1OC)N(C)[C@H]1[C@@H]3C[C@H]4/C(=C\C)CN3CC[C@@]21[C@@H]4C(=O)OC
InChI: InChI=1S/C42H50N4O5/c1-7-23-21-44-16-14-41-29-19-30(34(49-4)20-32(29)43(3)38(41)33(44)17-26(23)36(41)39(47)50-5)42-28-13-15-45-22-24(8-2)27(18-35(42)45)37(40(48)51-6)46(42)31-12-10-9-11-25(28)31/h7-12,19-20,26-28,33,35-38H,13-18,21-22H2,1-6H3/b23-7-,24-8-/t26-,27-,28+,33-,35-,36-,37-,38-,41-,42+/m0/s1
InChIKey: HTZWAUOEBYTKSR-HHRSCMRWSA-N
Reference
Some alkaloids of Alstonia undulata
PubChem CID: 102075552
LOTUS: LTS0120147
SuperNatural Ⅲ: SN0135385-05
NPASS: NPC250282
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia plumosa | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Piper artanthe | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ursinia trifida | Ursinia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 690.885
TPSA？: 74.79
MolLogP？: 4.989500000000005
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|