(1R,5S,10R)-5-hydroxy-15-[2-(4-hydroxyphenyl)ethyl]-3,17,17-trimethyl-7-methylidene-15-azatricyclo[8.5.2.0¹³,¹⁶]heptadeca-3,13(16)-dien-14-one
AlkaPlorer ID: AK084488
Synonym: None
IUPAC Name: (1R,3E,5S,10R)-5-hydroxy-15-[2-(4-hydroxyphenyl)ethyl]-3,17,17-trimethyl-7-methylidene-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=C(O)C=C1)C3=O)C2(C)C
InChI: InChI=1S/C28H37NO3/c1-18-5-8-21-9-12-24-26(28(21,3)4)25(17-19(2)16-23(31)15-18)29(27(24)32)14-13-20-6-10-22(30)11-7-20/h6-7,10-11,16,21,23,25,30-31H,1,5,8-9,12-15,17H2,2-4H3/b19-16+/t21-,23+,25-/m1/s1
InChIKey: UVTWWFUHWIXLFC-BURXARODSA-N
Reference
Cespitulactams A, B, and C, three new nitrogen-containing diterpenes from Cespitularia taeniata May
PubChem CID: 11683524
LOTUS: LTS0159251
SuperNatural Ⅲ: SN0381471-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Conglomeratusclera coerulea | Conglomeratusclera | Xeniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 435.6080000000002
TPSA？: 60.77
MolLogP？: 5.315700000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|