(20'S)-19',20'-Dihydrotabernamine
AlkaPlorer ID: AK189764
Synonym: '19,20-Dihydrotabernamine'
IUPAC Name: methyl (1R,12S,14R,15S,18S)-15-ethyl-12-[(1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-5-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: CC[C@@H]1CN(C)[C@@H]2CC3=C(NC4=CC=CC=C34)[C@H](C3=C4NC5=C(CCN6C[C@@H]7C[C@H](CC)[C@H]6[C@H]5C7)C4=CC=C3)C[C@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C40H50N4O2/c1-5-23-16-22-17-32-37-28(14-15-44(20-22)39(23)32)26-11-9-12-27(36(26)42-37)30-18-29-24(6-2)21-43(3)34(35(29)40(45)46-4)19-31-25-10-7-8-13-33(25)41-38(30)31/h7-13,22-24,29-30,32,34-35,39,41-42H,5-6,14-21H2,1-4H3/t22-,23+,24-,29-,30+,32+,34-,35+,39+/m1/s1
InChIKey: WFIHZDRDQMJSQS-ZUJNNJJRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana divaricata | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 618.8660000000003
TPSA？: 64.36
MolLogP？: 7.233000000000008
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|