Cyclorocaglamide
AlkaPlorer ID: AK099280
Synonym: '(+)-Cyclorocaglamide'
IUPAC Name: (1S,12R,20R,21R,22S)-20-hydroxy-3,16,17-trimethoxy-N,N-dimethyl-22-phenyl-5,7,11,19-tetraoxahexacyclo[10.7.3.01,12.02,10.04,8.013,18]docosa-2,4(8),9,13(18),14,16-hexaene-21-carboxamide
Structure
SMILES: COC1=CC=C2C(=C1OC)O[C@]13C4=C(OC)C5=C(C=C4O[C@]21[C@H](C1=CC=CC=C1)[C@@H](C(=O)N(C)C)[C@H]3O)OCO5
InChI: InChI=1S/C30H29NO9/c1-31(2)28(33)20-21(15-9-7-6-8-10-15)29-16-11-12-17(34-3)24(35-4)23(16)40-30(29,27(20)32)22-18(39-29)13-19-25(26(22)36-5)38-14-37-19/h6-13,20-21,27,32H,14H2,1-5H3/t20-,21-,27-,29+,30+/m1/s1
InChIKey: VCNFLHICFOZCQD-VEHKLXOOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holothuria pervicax | Holothuria | Holothuriidae | Aspidochirotida | Holothuroidea | Echinodermata | Metazoa | Eukaryota |
| Hygrochilus parishii | Hygrochilus | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ilex crenata | Ilex | Aquifoliaceae | Aquifoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 547.5600000000002
TPSA？: 105.15000000000002
MolLogP？: 3.179400000000002
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|