Navigation

name Structure Reference Source Properties Activities Metabolism

methyl 25-methoxy-4,13-dioxa-17,27,30,40-tetraazatridecacyclo[28.13.1.1¹⁰,¹⁷.0¹,⁵.0⁶,²⁹.0⁸,²⁸.0¹⁰,¹⁴.0²⁰,²⁸.0²¹,²⁶.0³³,⁴¹.0³³,⁴⁴.0³⁴,³⁹.0²⁰,⁴⁵]pentatetraconta-21(26),22,24,34,36,38,41-heptaene-42-carb

AlkaPlorer ID: AK014367

Synonym: None

IUPAC Name: methyl (1R,10R,44R,45R)-25-methoxy-4,13-dioxa-17,27,30,40-tetrazatridecacyclo[28.13.1.110,17.01,5.06,29.08,28.010,14.020,28.021,26.033,41.033,44.034,39.020,45]pentatetraconta-21(26),22,24,34,36,38,41-heptaene-42-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2C4C(CC5C[C@]67CCOC6CCN6CCC8(C9=CC=CC(OC)=C9NC548)[C@@H]67)C4OCC[C@]4(C1)[C@H]23

copy

InChI: InChI=1S/C42H48N4O5/c1-48-29-9-5-7-27-31(29)44-42-23(21-38-13-18-50-30(38)10-15-45-16-12-41(27,42)37(38)45)20-24-33(42)46-17-11-40-26-6-3-4-8-28(26)43-32(40)25(35(47)49-2)22-39(36(40)46)14-19-51-34(24)39/h3-9,23-24,30,33-34,36-37,43-44H,10-22H2,1-2H3/t23?,24?,30?,33?,34?,36-,37-,38+,39+,40?,41?,42?/m0/s1

copy

InChIKey: NNQIWCFSNKVVPR-OREKWXCASA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Callichilia barteri Callichilia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 688.8690000000001

TPSA？: 84.53

MolLogP？: 4.816500000000004

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 13

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information