Vobtusine
AlkaPlorer ID: AK321983
Synonym: None
IUPAC Name: methyl 24'-hydroxy-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2CC4(CC5CC67CCCC6CCN6CCC8(C9=CC=CC(OC)=C9N(C4)C58O)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C44H52N4O5/c1-51-32-11-5-9-30-33(32)48-25-39(21-27-22-40-13-6-7-26(40)12-17-46-19-15-43(30,37(40)46)44(27,48)50)24-47-18-14-42-29-8-3-4-10-31(29)45-34(42)28(35(49)52-2)23-41(36(42)47)16-20-53-38(39)41/h3-5,8-11,26-27,36-38,45,50H,6-7,12-25H2,1-2H3
InChIKey: NYMWFPKWCFFOGM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana sphaerocarpa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 716.9230000000001
TPSA？: 86.74000000000001
MolLogP？: 5.173600000000006
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|