Vatine; Stereoisomer
AlkaPlorer ID: AK317421
Synonym: Vatine A
IUPAC Name: 3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-8b-[3-methyl-8b-[3-methyl-8b-[3-methyl-5-(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Structure
SMILES: CN1CCC2(C3=CC=CC4=C3NC3N(C)CCC43C3=CC=CC4=C3NC3N(C)CCC43C3=CC=CC4=C3NC3N(C)CCC43C34CCN(C)C3NC3=C(C56CCN(C)C5NC5=CC=CC=C56)C=CC=C34)C3=CC=CC=C3NC12
InChI: InChI=1S/C66H74N12/c1-73-33-27-61(39-15-7-9-25-49(39)67-55(61)73)41-17-11-18-42-51(41)69-57-63(42,29-35-75(57)3)43-19-12-20-44-52(43)70-58-64(44,30-36-76(58)4)46-22-14-24-48-54(46)72-60-66(48,32-38-78(60)6)65-31-37-77(5)59(65)71-53-45(21-13-23-47(53)65)62-28-34-74(2)56(62)68-50-26-10-8-16-40(50)62/h7-26,55-60,67-72H,27-38H2,1-6H3
InChIKey: BXKLGDDYHDKOIO-UHFFFAOYSA-N
Reference
Biological Activities of Pyrrolidinoindoline Alkaloids from<i>Calycodendron milnei</i>
PubChem CID: 101688201
LOTUS: LTS0017445
COCONUT: CNP0170013.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Psychotria milnei | Psychotria | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1035.4019999999994
TPSA？: 91.62
MolLogP？: 8.529400000000008
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 18
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|