Molecule

2-{7-[(1H-indol-3-yl)methyl]-6a,10b-dimethyl-8-methylidene-dodecahydro-1H-naphtho[2,1-b]pyran-3-yl}propan-2-ol

AlkaPlorer ID: AK046946

Synonym: None

IUPAC Name: 2-[(3S,4aS,6aR,7R,10aR,10bS)-7-(1H-indol-3-ylmethyl)-6a,10b-dimethyl-8-methylidene-1,2,3,4a,5,6,7,9,10,10a-decahydrobenzo[f]chromen-3-yl]propan-2-ol

Structure

SMILES: C=C1CC[C@H]2[C@]3(C)CC[C@@H](C(C)(C)O)O[C@H]3CC[C@]2(C)[C@@H]1CC1=CNC2=CC=CC=C12

InChI: InChI=1S/C28H39NO2/c1-18-10-11-23-27(4,21(18)16-19-17-29-22-9-7-6-8-20(19)22)14-13-25-28(23,5)15-12-24(31-25)26(2,3)30/h6-9,17,21,23-25,29-30H,1,10-16H2,2-5H3/t21-,23-,24+,25+,27-,28+/m1/s1

InChIKey: OZUKTQAIGDLHCP-JEAHLELXSA-N

Reference

Studies on fungal products. Part 17. Isolation and structures of novel indoloditerpenes, emindoles DA and DB, from Emericella desertorum: X-ray molecular structure of emindole DA acetate

PubChem CID: 14137878

LOTUS: LTS0161199

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus desertorum	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 421.6250000000001

TPSA？: 45.25

MolLogP？: 6.417700000000008

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi