Navigation

name Structure Reference Source Properties Activities Metabolism

(1S,2R,4R,12S,15S,18R)-14,14,18-trimethyl-5-[(1S,2R,4R,12S,15S,18R)-14,14,18-trimethyl-16-oxo-5,13-diazahexacyclo[13.3.1.0²,¹³.0⁴,¹².0⁴,¹⁸.0⁶,¹¹]nonadeca-6(11),7,9-trien-9-yl]-5,13-diazahexacyclo[13.3.1.0²,¹³.0⁴,¹².0⁴,¹⁸.0⁶,¹¹]nonadeca-6(11),7,9-trien-16-

AlkaPlorer ID: AK259666

Synonym: None

IUPAC Name: (1S,2R,4R,12S,15S,18R)-14,14,18-trimethyl-9-[(1S,2R,4R,12S,15S,18R)-14,14,18-trimethyl-16-oxo-5,13-diazahexacyclo[13.3.1.02,13.04,12.04,18.06,11]nonadeca-6,8,10-trien-5-yl]-5,13-diazahexacyclo[13.3.1.02,13.04,12.04,18.06,11]nonadeca-6(11),7,9-trien-16-one

Structure

SMILES: CC1(C)[C@@H]2C[C@@H]3[C@H]4C[C@@]5(NC6=CC=C(N7C8=CC=CC=C8[C@@H]8N9[C@@H]%10C[C@@]87[C@]7(C)CC(=O)[C@@H](C[C@H]%107)C9(C)C)C=C6[C@@H]5N41)[C@]3(C)CC2=O

copy

InChI: InChI=1S/C40H46N4O2/c1-35(2)25-14-23-29-16-39(37(23,5)18-31(25)45)33(43(29)35)22-13-20(11-12-27(22)41-39)42-28-10-8-7-9-21(28)34-40(42)17-30-24-15-26(36(3,4)44(30)34)32(46)19-38(24,40)6/h7-13,23-26,29-30,33-34,41H,14-19H2,1-6H3/t23-,24-,25-,26-,29-,30-,33+,34+,37-,38-,39+,40+/m1/s1

copy

InChIKey: ACQBZYKFMOETHR-RGBJRRTFSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Aristotelia australasica Aristotelia Elaeocarpaceae Oxalidales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 614.8340000000002

TPSA？: 55.89

MolLogP？: 6.787000000000007

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 12

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information