6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline

Identification

PhytoHub ID
PHUB001910
Name
6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
202.257
Monoisotopic Mass
202.110613079
Chemical Formula
C12H14N2O
IUPAC Name
1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-6-ol
InChI Key
GHKJDZJAHHVUTD-UHFFFAOYNA-N
InChI Identifier
InChI=1/C12H14N2O/c1-7-12-9(4-5-13-7)10-6-8(15)2-3-11(10)14-12/h2-3,6-7,13-15H,4-5H2,1H3
SMILES
CC1NCCC2=C1NC1=CC=C(O)C=C21
Structure

Calculated Properties

Solubility (ALOGPS)
5.26e-01 g/l
LogS (ALOGPS)
-2.59
LogP (ALOGPS)
1.57
Hydrogen Acceptors
2
Hydrogen Donors
3
Rotatable Bond Count
0
Polar Surface Area
48.05
Refractivity
59.9793
Polarizability
22.606376625827412
Formal Charge
0
Physiological Charge
1
pKa (strongest basic)
9.02852349454316
pKa (strongest acidic)
9.709699625617514
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy

Family
N-containing compounds
Class
Alkaloids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
BananaFruit, Tropical fruits PublicationsShow
KiwiFruit, Tropical fruits PublicationsShow
PineappleFruit, Tropical fruits PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline 6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline sulfatehumanurinehost metabolismC12H14N2O4S282.067428113 Publications
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