Calafatimine
AlkaPlorer ID: AK006499
Synonym: '', 'Calafatimine'
IUPAC Name: (14R)-9,20,21,25,34-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-tridecaene
Structure
SMILES: COC1=CC2=C3C=C1OC1=C4C(=CC(OC)=C1OC)CCN(C)[C@@H]4CC1=CC=C(OC)C(=C1OC)OC1=CC=C(C=C1)CC3=NCC2
InChI: InChI=1S/C38H40N2O7/c1-40-16-14-24-20-33(43-4)36(45-6)38-34(24)29(40)18-25-9-12-30(41-2)37(35(25)44-5)46-26-10-7-22(8-11-26)17-28-27-21-32(47-38)31(42-3)19-23(27)13-15-39-28/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m1/s1
InChIKey: VQYWPFJBVAHLLO-GDLZYMKVSA-N
Reference
PubChem CID: 442184
CAS: 77793-42-1
LOTUS: LTS0163709
SuperNatural Ⅲ: SN0397754-01
NPASS: NPC137098
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asclepias curassavica | Asclepias | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 636.7450000000001
TPSA？: 80.21000000000001
MolLogP？: 6.9872000000000085
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|