Eurocristatine
AlkaPlorer ID: AK046673
Synonym: None
IUPAC Name: (1R,4R,7S,9R)-9-[(1R,4R,7S,9R)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: CC(C)[C@H]1N=C(O)[C@@H]2C[C@]3([C@]45C[C@H]6C(O)=N[C@H](C(C)C)C(=O)N6[C@H]4NC4=CC=CC=C45)C4=CC=CC=C4N[C@@H]3N2C1=O
InChI: InChI=1S/C32H36N6O4/c1-15(2)23-27(41)37-21(25(39)35-23)13-31(17-9-5-7-11-19(17)33-29(31)37)32-14-22-26(40)36-24(16(3)4)28(42)38(22)30(32)34-20-12-8-6-10-18(20)32/h5-12,15-16,21-24,29-30,33-34H,13-14H2,1-4H3,(H,35,39)(H,36,40)/t21-,22-,23+,24+,29+,30+,31-,32-/m0/s1
InChIKey: VKGJCECPEIOHGI-VYWSVDQRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 568.6780000000001
TPSA？: 129.86
MolLogP？: 3.5568000000000017
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|