Clivimine
AlkaPlorer ID: AK055387
Synonym: ''
IUPAC Name: bis[(2S,3R,7R,9S,10R)-4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl] 2,6-dimethylpyridine-3,5-dicarboxylate
Structure
SMILES: CC1=C(C(=O)O[C@H]2C[C@H]3CCN(C)[C@H]3[C@@H]3C4=CC5=C(C=C4C(=O)O[C@H]32)OCO5)C=C(C(=O)O[C@H]2C[C@H]3CCN(C)[C@H]3[C@@H]3C4=CC5=C(C=C4C(=O)O[C@H]32)OCO5)C(C)=N1
InChI: InChI=1S/C43H43N3O12/c1-18-22(40(47)55-32-9-20-5-7-45(3)36(20)34-24-12-28-30(53-16-51-28)14-26(24)42(49)57-38(32)34)11-23(19(2)44-18)41(48)56-33-10-21-6-8-46(4)37(21)35-25-13-29-31(54-17-52-29)15-27(25)43(50)58-39(33)35/h11-15,20-21,32-39H,5-10,16-17H2,1-4H3/t20-,21-,32+,33+,34+,35+,36-,37-,38+,39+/m1/s1
InChIKey: CJYOGPFDNAEALZ-BVORSCEZSA-N
Reference
Isolation of clivacetine from Clivia miniata Regel. (Amaryllidaceae).
PubChem CID: 44559309
LOTUS: LTS0032844
SuperNatural Ⅲ: SN0047787-01
NPASS: NPC277272
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clivia miniata | Clivia | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 793.826
TPSA？: 161.48999999999995
MolLogP？: 4.300240000000004
Number of H-Donors: 0
Number of H-Acceptors: 15
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterovirus C | Enterovirus C | pTCD50 | 1.0 | None | 10.1021/np50023a009 |
| Enterovirus C | Enterovirus C | pTCD50 | 10.0 | None | 10.1021/np50023a009 |
| Measles morbillivirus | Measles morbillivirus | pTCD50 | 1.0 | None | 10.1021/np50023a009 |
| Semliki Forest virus | Semliki Forest virus | pTCD50 | 1.0 | None | 10.1021/np50023a009 |
| Semliki Forest virus | Semliki Forest virus | pTCD50 | 10.0 | None | 10.1021/np50023a009 |
| Simplexvirus | Simplexvirus | pTCD50 | 1.0 | None | 10.1021/np50023a009 |