(-)-Idiospermuline
AlkaPlorer ID: AK133682
Synonym: 'Idiospermuline'
IUPAC Name: (3aS,8bS)-5,8b-bis[(3aR,8bR)-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Structure
SMILES: CN1CC[C@@]2(C3=C4N[C@H]5N(C)CC[C@@]5([C@@]56CCN(C)[C@@H]5N(C)C5=CC=CC=C56)C4=CC=C3)C3=CC=CC=C3N(C)[C@@H]12
InChI: InChI=1S/C35H42N6/c1-37-21-18-34(35-19-22-39(3)32(35)41(5)28-16-9-7-12-24(28)35)26-14-10-13-25(29(26)36-30(34)37)33-17-20-38(2)31(33)40(4)27-15-8-6-11-23(27)33/h6-16,30-32,36H,17-22H2,1-5H3/t30-,31+,32+,33-,34+,35+/m0/s1
InChIKey: DLRDWTSPLDTPEG-ZPXOPYALSA-N
Reference
Idiospermuline, a Trimeric Pyrrolidinoindoline Alkaloid from the Seed of Idiospermum australiense
PubChem CID: 10437451
LOTUS: LTS0011512
NPASS: NPC479055
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Idiospermum australiense | Idiospermum | Calycanthaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 546.7630000000001
TPSA？: 28.230000000000004
MolLogP？: 4.458400000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 61.2 | % | 10.1021/np50122a007 |
| None | Unchecked | Activity | nan | None | 10.1021/np50122a007 |