Criophylline
AlkaPlorer ID: AK293214
Synonym: None
IUPAC Name: methyl 12-ethyl-16-(17-ethyl-15-oxa-2,12-diazahexacyclo[10.7.1.01,9.03,8.014,16.017,20]icosa-3(8),4,6-trien-6-yl)-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CCC12CC(C(=O)OC)=C3NC4=CC=CC=C4C34CCN(C(C3=CC=C5NC67CCC8(CC)C9OC9CN(CCC6C5=C3)C87)C3OC31)C42
InChI: InChI=1S/C40H46N4O4/c1-4-37-13-14-40-24(12-16-43(36(37)40)20-28-32(37)47-28)22-18-21(10-11-26(22)42-40)29-30-33(48-30)38(5-2)19-23(34(45)46-3)31-39(15-17-44(29)35(38)39)25-8-6-7-9-27(25)41-31/h6-11,18,24,28-30,32-33,35-36,41-42H,4-5,12-17,19-20H2,1-3H3
InChIKey: IMSLQOWUUQQNOC-UHFFFAOYSA-N
Reference
Two New Iridoids from Viticis trifoliae Fructus (Fruit of Vitex rotundiSolia L.).
PubChem CID: 73812086
COCONUT: CNP0297529.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Crioceras | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 646.8320000000002
TPSA？: 81.89999999999999
MolLogP？: 5.467100000000006
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|