Ervahanine A
AlkaPlorer ID: AK486035
Synonym: None
IUPAC Name: methyl (1S,15R,17S,18S)-17-ethyl-6-[(1S,12R,14R,15Z,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: C/C=C1\CN(C)[C@H]2CC3=C(NC4=CC=CC=C34)[C@@H](C3=CC=C4C5=C(NC4=C3)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C42H50N4O4/c1-6-24-16-23-20-42(41(48)50-5)38-29(14-15-46(21-23)39(24)42)28-13-12-26(17-34(28)44-38)31-18-30-25(7-2)22-45(3)35(36(30)40(47)49-4)19-32-27-10-8-9-11-33(27)43-37(31)32/h7-13,17,23-24,30-31,35-36,39,43-44H,6,14-16,18-22H2,1-5H3/b25-7+/t23-,24+,30+,31-,35+,36+,39+,42-/m1/s1
InChIKey: PBQMJIQJGPNOKV-GNEMMXPASA-N
Reference
Conodurine, conoduramine, and ervahanine derivatives from Tabernaemontana corymbosa
PubChem CID: 101254412
LOTUS: LTS0135495
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana hystrix | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 674.8860000000001
TPSA？: 90.66
MolLogP？: 6.480300000000007
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|