Phyto4Health

Harmalol

Representations & DB's id

ChEBI: CHEBI:27943
ChEMBL: CHEMBL129177
PubChem: 3565
IUPAC: 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol
Standard InChI: InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
Standard InChI Key: RHVPEFQDYMMNSY-UHFFFAOYSA-N
SMILES: Oc1ccc2c(c1)[nH]c1c2CCN=C1C

Molecular propeties

AlogP: 2.24
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 3
Molecular Weight: 200.09
Topological polar surface area: 48.4
Number of aromatic rings: 2
Fsp3: 0.25
Number of carbons: 12

Plant sources

Part of plant Plant name Ref.
PlantPeganum harmala

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others91 %Rho-associated protein kinase 2O75116
Others100 %Ribosomal protein S6 kinase alpha 1Q15418
Others95 %MAP kinase p38 betaQ15759
Others89 %MAP kinase p38 deltaO15264
Others104 %MAP kinase p38 gammaP53778
Others105 %Serine/threonine-protein kinase PAK 4O96013
Others95 %Serine/threonine-protein kinase PAK7Q9P286
Others92 %Serine/threonine-protein kinase PAK6Q9NQU5
Others93 %3-phosphoinositide dependent protein kinase-1O15530
Others92 %Serine/threonine-protein kinase PIM1P11309
Others101 %Serine/threonine-protein kinase PIM2Q9P1W9
Others71 %Serine/threonine-protein kinase PIM3Q86V86
Others90 %cAMP-dependent protein kinase alpha-catalytic subunitP17612
Others89 %Serine/threonine-protein kinase AKTP31749
Others81 %Serine/threonine-protein kinase AKT2P31751
Others92 %Protein kinase C alphaP17252
Others88 %Protein kinase C zetaQ05513
Others88 %Serine/threonine-protein kinase SRPK1Q96SB4
Others83 %Ribosomal protein S6 kinase alpha 3P51812
Others94 %Ribosomal protein S6 kinase 1P23443
Others86 %Serine/threonine-protein kinase Sgk1O00141
Others107 %Myosin light chain kinase, smooth muscleQ15746
Others90 %Serine/threonine-protein kinase Aurora-BQ96GD4
Others91 %Serine/threonine-protein kinase Aurora-CQ9UQB9
Others98 %BR serine/threonine-protein kinase 2Q8IWQ3
Others101 %CaM kinase I alphaQ14012
Others103 %CaM-kinase kinase alphaQ8N5S9
Others90 %CaM-kinase kinase betaQ96RR4
Others84 %Serine/threonine-protein kinase Chk1O14757
Others122 %Serine/threonine-protein kinase Chk2O96017
Others94 %Casein kinase I deltaP48730
Others84 %Tyrosine-protein kinase CSKP41240
Others67 %Dual-specificity tyrosine-phosphorylation regulated kinase 1AQ13627
Others86 %Dual-specificity tyrosine-phosphorylation regulated kinase 2Q92630
Others71 %Dual-specificity tyrosine-phosphorylation regulated kinase 3O43781
Others102 %Serine/threonine-protein kinase EEF2KO00418
Others107 %MAP kinase ERK1P27361
Others95 %MAP kinase ERK2P28482
Others62 %Mitogen-activated protein kinase 15Q8TD08
Others90 %Serine/threonine-protein kinase MST2Q13188
Others82 %Serine/threonine-protein kinase NEK2P51955
Others93 %Serine/threonine-protein kinase NEK6Q9HC98
Others109 %Serine/threonine-protein kinase NEK7Q8TDX7
Others96 %MAP kinase p38 alphaQ16539
Others88 %Glycogen synthase kinase-3 betaP49841
Others101 %Homeodomain-interacting protein kinase 2Q9H2X6
Others93 %Homeodomain-interacting protein kinase 3Q9H422
Others74 %Inhibitor of nuclear factor kappa B kinase beta subunitO14920
Others102 %c-Jun N-terminal kinase 1P45983
Others99 %c-Jun N-terminal kinase 2P45984
Others113 %c-Jun N-terminal kinase 3P53779
Others88 %MAP kinase-activated protein kinase 2P49137
Others99 %MAP kinase-activated protein kinase 3Q16644
Others131 %Serine/threonine-protein kinase c-TAK1P27448
Others77 %Maternal embryonic leucine zipper kinaseQ14680
Others86 %Dual specificity mitogen-activated protein kinase kinase 1Q02750
Others97 %MAP kinase-interacting serine/threonine-protein kinase MNK1Q9BUB5
Others106 %MAP kinase signal-integrating kinase 2Q9HBH9
Others96 %Ribosomal protein S6 kinase alpha 5O75582
Others111 %Protein kinase C muQ15139
Others83 %Serine/threonine-protein kinase PLK1P53350
Others85 %MAP kinase-activated protein kinase 5Q8IW41
Others86 %Protein kinase N2Q16513
Potency31622.8 nMBreast cancer type 1 susceptibility proteinP38398
Potency31622.8 nMATP-dependent DNA helicase Q1P46063
Potency31622.8 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency31622.8 nMLysine-specific demethylase 4D-likeB2RXH2
Potency12589.3 nMCaspase-7P55210
Potency12589.3 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency1412.5 nMMicrotubule-associated protein tauP10636
Potency35481.3 nMAldehyde dehydrogenase 1A1P00352
Potency35481.3 nM15-hydroxyprostaglandin dehydrogenase [NAD+]P15428
Potency15848.9 nMCaspase-1P29466
Potency39810.7 nMBloom syndrome proteinP54132
Potency31622.8 nMCytochrome P450 2D6P10635
Potency19952.6 nMCytochrome P450 3A4P08684
Potency19952.6 nMCytochrome P450 3A4P08684
Others49.66 %AcetylcholinesteraseP22303