Molecule

(4a'S,8a'R)-4'-(cyclohexylcarbonyl)-2'-(4-methoxyphenyl)-4a',5',6',7',8',8a'-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]quinazoline]

AlkaPlorer ID: AK530717

Synonym: None

IUPAC Name: [(4aS,8aR)-2-(4-methoxyphenyl)spiro[4a,5,6,7,8,8a-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline-9,1'-cyclohexane]-4-yl]-cyclohexylmethanone

Structure

SMILES: COC1=CC=C(C2=NN3C(=N2)N(C(=O)C2CCCCC2)[C@H]2CCCC[C@H]2C32CCCCC2)C=C1

InChI: InChI=1S/C28H38N4O2/c1-34-22-16-14-20(15-17-22)25-29-27-31(26(33)21-10-4-2-5-11-21)24-13-7-6-12-23(24)28(32(27)30-25)18-8-3-9-19-28/h14-17,21,23-24H,2-13,18-19H2,1H3/t23-,24+/m1/s1

InChIKey: TVXLFNZBAGYSCV-RPWUZVMVSA-N

Reference

Mode of Action of Epoxyphomalins A and B and Characterization of Related Metabolites from the Marine-Derived Fungus <i>Paraconiothyrium</i> sp.

PubChem CID: 23612381

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 462.6380000000005

TPSA？: 60.25

MolLogP？: 6.098800000000007

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi