Thalidasine; O7-De-Me
AlkaPlorer ID: AK315772
Synonym: Thalrugosidine
IUPAC Name: 10,11,16,27-tetramethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(32),7(12),8,10,14(36),15,17,24(35),25,27,30,33-dodecaen-15-ol
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=CC(OC)=C(OC)C(=C3CCN1C)OC1=C3C(=CC(OC)=C1O)CCN(C)C3C2
InChI: InChI=1S/C38H42N2O7/c1-39-16-14-26-27-21-33(44-5)37(45-6)36(26)47-38-34-24(20-32(43-4)35(38)41)13-15-40(2)29(34)18-23-9-12-30(42-3)31(19-23)46-25-10-7-22(8-11-25)17-28(27)39/h7-12,19-21,28-29,41H,13-18H2,1-6H3
InChIKey: NVIHKJYGMWNYEP-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 638.7610000000002
TPSA？: 82.09
MolLogP？: 6.868000000000009
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|