Not named
AlkaPlorer ID: AK137015
Synonym: None
IUPAC Name: (2R,3E,5S,7S,9E,11R,12S,15R,16R)-16-benzyl-2,12-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-triene-6,18-dione
Structure
SMILES: CC1=C(C)[C@H]2[C@@H](CC3=CC=CC=C3)N=C(O)C23[C@H](O)/C=C/[C@H](C)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C28H35NO4/c1-16-9-8-12-21-26(32)19(4)18(3)24-22(15-20-10-6-5-7-11-20)29-27(33)28(21,24)23(30)14-13-17(2)25(16)31/h5-8,10-14,16-17,21-24,26,30,32H,9,15H2,1-4H3,(H,29,33)/b12-8+,14-13+/t16-,17-,21-,22+,23+,24-,26+,28?/m0/s1
InChIKey: GTEZBGQXBNUKSD-UGTSSAGKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cancer | Cancridae | Decapoda | Malacostraca | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 449.5910000000002
TPSA？: 90.12000000000002
MolLogP？: 4.215800000000004
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|