methyl 18',24-dihydroxy-19-methoxy-15'-oxa-4,8',17,19'-tetraazaspiro[heptacyclo[11.10.1.1¹,?.0?,¹¹.0¹?,²?.0¹?,²³.0¹¹,²?]pentacosane-15,17'-hexacyclo[10.9.1.0¹,?.0²,?.0¹²,¹?.0¹?,²²]docosane]-2',4',6',9',18,20,22-heptaene-10'-carboxylate
AlkaPlorer ID: AK321985
Synonym: None
IUPAC Name: methyl 18,24'-dihydroxy-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=C3C23CCN2C(O)C4(CC5CC67CCCC6CCN6CCC8(C9=CC=CC(OC)=C9N(C4)C58O)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C44H52N4O6/c1-52-31-11-5-9-29-32(31)48-24-41(22-26-21-39-13-6-7-25(39)12-17-46-18-15-43(29,36(39)46)44(26,48)51)37-40(16-20-54-37)23-27(34(49)53-2)33-42(14-19-47(35(40)42)38(41)50)28-8-3-4-10-30(28)45-33/h3-5,8-11,25-26,35-38,45,50-51H,6-7,12-24H2,1-2H3
InChIKey: GANUMCUPKWUEQY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana sphaerocarpa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 732.9220000000001
TPSA？: 106.97
MolLogP？: 4.492000000000004
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|