(9E)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl 2-(1H-indol-3-yl)acetate
AlkaPlorer ID: AK486225
Synonym: None
IUPAC Name: [(3R,8S,9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl] 2-(1H-indol-3-yl)acetate
Structure
SMILES: C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)OC(=O)CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C27H31NO3/c1-3-5-6-7-8-9-10-16-24(17-12-11-15-23(29)4-2)31-27(30)20-22-21-28-26-19-14-13-18-25(22)26/h4,10,13-14,16,18-19,21,23-24,28-29H,2-3,5-9,20H2,1H3/b16-10-/t23-,24+/m1/s1
InChIKey: PCBVETCLGQWQIE-DOHKSUPDSA-N
Reference
Growth inhibitory indole acetic acid polyacetylenic ester from Japanese ivy (Hedera rhombea Bean)
PubChem CID: 16744766
LOTUS: LTS0094635
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hedera rhombea | Hedera | Araliaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 417.5490000000001
TPSA？: 62.32
MolLogP？: 5.0926000000000045
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|