Conodutarine B
AlkaPlorer ID: AK053836
Synonym: '(-)-Conodutarine B'
IUPAC Name: methyl (1S,12R,14S,15E,18S)-12-[(1R,15S,17S,18S)-17-acetyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-5-yl]-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: C/C=C1/CN(C)[C@H]2CC3=C(NC4=CC=CC=C34)[C@@H](C3=C4NC5=C(CCN6C[C@@H]7C[C@H](C(C)=O)[C@@H]6[C@H]5C7)C4=CC=C3OC)C[C@@H]1[C@]2(CO)C(=O)OC
InChI: InChI=1S/C42H50N4O5/c1-6-24-20-45(3)35-18-29-25-9-7-8-10-33(25)43-38(29)30(17-32(24)42(35,21-47)41(49)51-5)36-34(50-4)12-11-26-27-13-14-46-19-23-15-28(22(2)48)40(46)31(16-23)37(27)44-39(26)36/h6-12,23,28,30-32,35,40,43-44,47H,13-21H2,1-5H3/b24-6-/t23-,28-,30-,31+,32+,35+,40-,42+/m1/s1
InChIKey: GQQKAXYTOUDWCI-YHWWSPKSSA-N
Reference
New Bisindole Alkaloids from <i>Tabernaemontana </i><i>corymbosa</i>
PubChem CID: 163082862
LOTUS: LTS0225313
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana corymbosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 690.8850000000002
TPSA？: 110.89
MolLogP？: 5.703200000000007
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|