8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-(propan-2-yl)-1H,2H,3H,4H,4aH,5H,6H,7H,7aH,10H,11H-cyclohexa[e]naphthalene-1,5-diol
AlkaPlorer ID: AK393609
Synonym: None
IUPAC Name: (1S,4R,4aS,5R,7R,7aS,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-propan-2-yl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol
Structure
SMILES: CC(C)C1=C(C2=CNC3=CC=CC=C23)[C@@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1
InChI: InChI=1S/C28H39NO2/c1-16(2)19-12-13-28-23(30)11-10-18(4)27(28,5)24(31)14-17(3)26(28)25(19)21-15-29-22-9-7-6-8-20(21)22/h6-9,15-18,23-24,26,29-31H,10-14H2,1-5H3/t17-,18-,23+,24-,26+,27-,28+/m1/s1
InChIKey: GVGMWTZTHQRHRE-GSJQUQQQSA-N
Reference
Antiinsectan aflavinine derivatives from the sclerotia of Aspergillus flavus
PubChem CID: 124511201
LOTUS: LTS0121695
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus parasiticus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 421.6250000000003
TPSA？: 56.25
MolLogP？: 6.171700000000008
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|