Conodiparine B
AlkaPlorer ID: AK089803
Synonym: ''
IUPAC Name: methyl (1S,15R,17S,18S)-5-[(1R,12R,14S,15E,18S)-15-ethylidene-18-(hydroxymethyl)-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-[(1S)-1-hydroxyethyl]-6-methoxy-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=C4NC5=C(CCN6C[C@@H]7C[C@H]([C@H](C)O)[C@H]6[C@@]5(C(=O)OC)C7)C4=CC=C3OC)C[C@@H]1[C@]2(CO)C(=O)OC
InChI: InChI=1S/C44H54N4O7/c1-7-25-21-47(3)35-18-30-26-10-8-9-11-33(26)45-37(30)31(17-32(25)44(35,22-49)42(52)55-6)36-34(53-4)13-12-27-28-14-15-48-20-24-16-29(23(2)50)40(48)43(19-24,41(51)54-5)39(28)46-38(27)36/h7-13,23-24,29,31-32,35,40,45-46,49-50H,14-22H2,1-6H3/b25-7-/t23-,24+,29+,31+,32-,35+,40-,43+,44-/m0/s1
InChIKey: ZDXOLFVIYJGKKI-HDQDQCGBSA-N
Reference
New Bisindole Alkaloids from <i>Tabernaemontana </i><i>corymbosa</i>
PubChem CID: 162890049
LOTUS: LTS0011828
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana corymbosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 750.9370000000001
TPSA？: 140.35000000000002
MolLogP？: 4.822200000000006
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|