3,8a-dimethyl-5-methylidene-4H,4aH,5H,6H,7H,8H,8aH-cyclohexa[f]indol-2-ol
AlkaPlorer ID: AK105750
Synonym: None
IUPAC Name: (4aS,8aS)-3,8a-dimethyl-5-methylidene-1,4,4a,6,7,8-hexahydrobenzo[f]indol-2-one
Structure
SMILES: C=C1CCC[C@]2(C)C=C3N=C(O)C(C)=C3C[C@@H]12
InChI: InChI=1S/C15H19NO/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(17)16-13/h8,12H,1,4-7H2,2-3H3,(H,16,17)/t12-,15+/m0/s1
InChIKey: RXTVBISZHPGQKT-SWLSCSKDSA-N
Reference
A sesquiterpene lactam from Artractylodes macrocephala
PubChem CID: 101707484
LOTUS: LTS0102990
NPASS: NPC173421
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atractylodes macrocephala | Atractylodes | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Atractylodes lancea | Atractylodes | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 229.32299999999995
TPSA？: 32.59
MolLogP？: 3.923200000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|