11-Demethylconoduramine
AlkaPlorer ID: AK032400
Synonym: ''
IUPAC Name: methyl (1S,15S,17R,18R)-17-ethyl-7-[(1S,12S,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]-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: C/C=C1\CN(C)[C@H]2CC3=C(NC4=CC=CC=C34)[C@H](C3=C(O)C=C4NC5=C(CCN6C[C@H]7C[C@@H](CC)[C@@H]6[C@@]5(C(=O)OC)C7)C4=C3)C[C@@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(49)51-5)38-26(12-13-46(20-22)39(23)42)28-16-29(35(47)18-33(28)44-38)30-15-27-24(7-2)21-45(3)34(36(27)40(48)50-4)17-31-25-10-8-9-11-32(25)43-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-44,47H,6,12-15,17,19-21H2,1-5H3/b24-7+/t22-,23+,27-,30-,34-,36-,39+,42+/m0/s1
InChIKey: MWTHBNIWYPKNEY-QOGVLUFHSA-N
Reference
Antimicrobially active alkaloids from Tabernaemontana pachysiphon
PubChem CID: 163068193
LOTUS: LTS0125419
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana pachysiphon | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 690.8850000000002
TPSA？: 110.89000000000004
MolLogP？: 6.185900000000006
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|