N-[(2S)-1-[(1R,12R,13S,14R,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2(10),3,8-triene-13-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide
AlkaPlorer ID: AK253674
Synonym: None
IUPAC Name: N-[(2S)-1-[(1R,12R,13S,14R,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-14-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-13-carbonyl]pyrrolidin-2-yl]-2-methylpropanamide
Structure
SMILES: COC1=CC=C([C@]23OC4=CC5=C(OCO5)C(OC)=C4[C@](O)([C@@H](C4=CC=CC=C4)[C@@H]2C(=O)N2CCC[C@H]2N=C(O)C(C)C)[C@@H]3O)C=C1
InChI: InChI=1S/C35H38N2O9/c1-19(2)31(38)36-25-11-8-16-37(25)32(39)28-26(20-9-6-5-7-10-20)34(41)27-23(17-24-29(30(27)43-4)45-18-44-24)46-35(28,33(34)40)21-12-14-22(42-3)15-13-21/h5-7,9-10,12-15,17,19,25-26,28,33,40-41H,8,11,16,18H2,1-4H3,(H,36,38)/t25-,26-,28+,33-,34+,35-/m0/s1
InChIKey: QDCZJXVYXDQFEC-GNOCXQPSSA-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: 630.6940000000003
TPSA？: 139.51000000000002
MolLogP？: 4.243500000000003
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|