4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.1³,?.1²?,²?.0?,¹?.0¹³,¹?.0²?,³?]hexatriaconta-1(32),3(36),4,6,13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol
AlkaPlorer ID: AK355543
Synonym: None
IUPAC Name: (9S,28S)-4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=C(CCN1C)C(O)=C(OC)C(OC)=C3OC1=C3CCN(C)[C@@H](C2)C3=CC(OC)=C1OC
InChI: InChI=1S/C39H44N2O8/c1-40-16-14-25-27-21-32(44-4)36(45-5)35(25)49-37-33-26(34(42)38(46-6)39(37)47-7)15-17-41(2)29(33)18-22-8-11-24(12-9-22)48-31-20-23(19-28(27)40)10-13-30(31)43-3/h8-13,20-21,28-29,42H,14-19H2,1-7H3/t28-,29-/m0/s1
InChIKey: CLAUJNOKVABGOJ-VMPREFPWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum delavayi | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 668.7870000000003
TPSA？: 91.32000000000002
MolLogP？: 6.876600000000009
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 100.0 | ug.mL-1 | 10.1021/np50010a007 |