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name Structure Reference Source Properties Activities Metabolism

(1S,10S)-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.0¹³,¹⁶]heptadeca-3,13(16)-diene-5,14-dione

AlkaPlorer ID: AK488731

Synonym: None

IUPAC Name: (1S,3E,10S)-3,17,17-trimethyl-7-methylidene-15-(2-phenylethyl)-15-azatricyclo[8.5.2.013,16]heptadeca-3,13(16)-diene-5,14-dione

Structure

SMILES: C=C1CC[C@H]2CCC3=C([C@H](C/C(C)=C/C(=O)C1)N(CCC1=CC=CC=C1)C3=O)C2(C)C

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InChI: InChI=1S/C28H35NO2/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/h5-9,17,22,25H,1,10-16,18H2,2-4H3/b20-17+/t22-,25-/m0/s1

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InChIKey: PHUAYLJMFGOQPC-CIQIACKXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Conglomeratusclera coerulea Conglomeratusclera Xeniidae Malacalcyonacea Anthozoa Cnidaria Metazoa Eukaryota

Properties Information

Molecule Weight: 417.5930000000002

TPSA？: 37.38

MolLogP？: 5.818300000000006

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information