(2123S)-Epoxy-7α2124S25-tetrahydroxy-4α4β8β10β- tetramethyl-25-dimethyl-1418-cyclo-5α13α14α17rcholestan-3β-N-methylanthranilic acid ester
AlkaPlorer ID: AK036795
Synonym: None
IUPAC Name: [(1S,2R,3R,5R,7S,10S,11R,14R,15S)-15-[(2S,3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-(methylamino)benzoate
Structure
SMILES: CNC1=CC=CC=C1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@H]4C[C@H]([C@H](O)C(C)(C)O)O[C@@H]4O)[C@]3(C)[C@H](O)C[C@H]2C1(C)C
InChI: InChI=1S/C38H57NO7/c1-33(2)27-19-28(40)36(6)26(35(27,5)15-14-29(33)46-31(42)21-10-8-9-11-24(21)39-7)13-16-37-20-38(36,37)17-12-23(37)22-18-25(45-32(22)43)30(41)34(3,4)44/h8-11,22-23,25-30,32,39-41,43-44H,12-20H2,1-7H3/t22-,23+,25-,26-,27+,28-,29+,30+,32+,35-,36+,37-,38-/m1/s1
InChIKey: FJSCIFMDQSXLCX-SKQKVMOQSA-N
Reference
Triterpenoid Constituents of <i>Raulinoa echinata</i>
PubChem CID: 162969147
LOTUS: LTS0017256
SuperNatural Ⅲ: SN0087551-03
NPASS: NPC95592
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Santolina chamaecyparissus | Santolina | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Raulinoa echinata | Raulinoa | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Thesium chinense | Thesium | Thesiaceae | Santalales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 639.8740000000003
TPSA？: 128.48000000000002
MolLogP？: 5.518900000000008
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|