(1S,2S,4S,5R,6S,10S,11R,16R,25S,28R)-20-chloro-10,25-dihydroxy-11,16,19-trimethoxy-2,5,15,25,27,28-hexamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.1⁶,¹⁰.1¹⁷,²¹.0²,⁴]tetratriaconta-12,14,17(33),18,20-pentaene-8,24,26,29,32-pentone
AlkaPlorer ID: AK328653
Synonym: None
IUPAC Name: (12Z,14Z)-20-chloro-10,25-dihydroxy-11,16,19-trimethoxy-2,5,15,25,27,28-hexamethyl-3,7,30-trioxa-9,22,27-triazapentacyclo[20.8.2.16,10.117,21.02,4]tetratriaconta-12,14,17(33),18,20-pentaene-8,24,26,29,32-pentone
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)C(OC)/C(C)=C\C=C/C(OC)C1(O)CC(OC(O)=N1)C(C)C1OC1(C)C1CC(=O)N2CC(=O)C(C)(O)C(=O)N(C)C(C)C(=O)O1
InChI: InChI=1S/C37H48ClN3O13/c1-18-11-10-12-26(50-8)37(48)16-24(52-34(46)39-37)19(2)31-36(5,54-31)27-15-28(43)41(22-13-21(30(18)51-9)14-23(49-7)29(22)38)17-25(42)35(4,47)33(45)40(6)20(3)32(44)53-27/h10-14,19-20,24,26-27,30-31,47-48H,15-17H2,1-9H3,(H,39,46)/b12-10-,18-11-
InChIKey: AAJDLBBDZUKPEN-QGZZTLNLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mallotus nudiflorus | Mallotus | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 778.252
TPSA？: 206.49
MolLogP？: 2.567800000000001
Number of H-Donors: 3
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|