cespitulactam A
AlkaPlorer ID: AK084460
Synonym: None
IUPAC Name: (1R,3E,5S,10R)-5-hydroxy-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-14-one
Structure
SMILES: C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C/[C@@H](O)C1)N(CCC1=CC=CC=C1)C3=O)C2(C)C
InChI: InChI=1S/C28H37NO2/c1-19-10-11-22-12-13-24-26(28(22,3)4)25(18-20(2)17-23(30)16-19)29(27(24)31)15-14-21-8-6-5-7-9-21/h5-9,17,22-23,25,30H,1,10-16,18H2,2-4H3/b20-17+/t22-,23+,25-/m1/s1
InChIKey: WKVRSJMJFGOQJH-GZMCYQHKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Conglomeratusclera coerulea | Conglomeratusclera | Xeniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 419.6090000000002
TPSA？: 40.54
MolLogP？: 5.610100000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|