methyl (15E)-15-ethylidene-12-[(15Z)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹?.0?,?.0¹²,¹?]octadeca-2(10),4,6,8-tetraen-7-yl]-10,17-diazatetracyclo[12.3.1.0³,¹¹.0?,?]octadeca-3(11),4,6,8-tetraene-18-carboxylate
AlkaPlorer ID: AK528663
Synonym: None
IUPAC Name: methyl (1S,12S,14R,15Z,18S)-15-ethylidene-12-[(1S,14R,15Z)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-yl]-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: C/C=C1\CN2C3CC4=C([C@@H]2C[C@@H]1C3CO)N(C)C1=CC=C([C@@H]2C[C@H]3/C(=C/C)CN[C@@H](CC5=C2NC2=CC=CC=C52)[C@H]3C(=O)OC)C=C41
InChI: InChI=1S/C40H46N4O3/c1-5-21-18-41-33-15-29-24-9-7-8-10-32(24)42-38(29)27(14-26(21)37(33)40(46)47-4)23-11-12-34-28(13-23)30-17-35-31(20-45)25-16-36(39(30)43(34)3)44(35)19-22(25)6-2/h5-13,25-27,31,33,35-37,41-42,45H,14-20H2,1-4H3/b21-5+,22-6+/t25-,26-,27-,31?,33-,35?,36-,37-/m0/s1
InChIKey: SXBUMVZGMBYJIL-SIOUHEICSA-N
Reference
Alkaloids from stem bark and leaves of Peschiera buchtieni
PubChem CID: 101927634
LOTUS: LTS0120199
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana cymosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 630.8330000000002
TPSA？: 82.52
MolLogP？: 5.917300000000006
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|