Ergostine
AlkaPlorer ID: AK345830
Synonym: None
IUPAC Name: (6aR,9R)-N-[(1S,2S,4R,7R)-7-benzyl-4-ethyl-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Structure
SMILES: CC[C@@]1(N=C(O)[C@@H]2C=C3C4=C5C(=CNC5=CC=C4)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@@H](CC3=CC=CC=C3)N2C1=O
InChI: InChI=1S/C34H37N5O5/c1-3-33(36-30(40)22-16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37(2)19-22)32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33/h4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40)/t22-,26-,27-,28+,33-,34+/m1/s1
InChIKey: BOLCFGMGGWCOOE-UQNXEMKDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Festuca rubra | Festuca | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 595.7000000000004
TPSA？: 121.70000000000002
MolLogP？: 3.2212000000000014
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|