methyl 18',24-dihydroxy-19-methoxy-9-oxo-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: AK520017
Synonym: None
IUPAC Name: methyl 18,24'-dihydroxy-19'-methoxy-9'-oxospiro[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(CC5CC67CC(=O)CC6CCN6CCC8(C9=CC=CC(OC)=C9N(C4)C58O)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C44H50N4O7/c1-53-31-9-5-7-29-32(31)48-23-41(20-25-19-40-21-26(49)18-24(40)10-14-46-15-12-43(29,36(40)46)44(25,48)52)37-39(13-17-55-37)22-27(34(50)54-2)33-42(11-16-47(35(39)42)38(41)51)28-6-3-4-8-30(28)45-33/h3-9,24-25,35-38,45,51-52H,10-23H2,1-2H3
InChIKey: SCPIROZFVJWUFE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana sphaerocarpa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 746.9050000000002
TPSA？: 124.04
MolLogP？: 3.671000000000002
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|