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name Structure Reference Source Properties Activities Metabolism

1H-Indol-3-ol 

AlkaPlorer ID: AK016410

Synonym: 1,2-Dihydro-3H-indol-3-one, Indoxyl, Dihydro-3-oxoindole, 3-Hydroxyindole, Pseudoindoxyl 

IUPAC Name: 1H-indol-3-ol

Structure

SMILES: OC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H

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InChIKey: PCKPVGOLPKLUHR-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aristotelia chilensis Aristotelia Elaeocarpaceae Oxalidales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 133.14999999999998

TPSA？: 36.02

MolLogP？: 1.8735

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004339 CC(=O)Oc1c[nH]c2ccccc12>>Oc1c[nH]c2ccccc12 enzymemap_51374
AKRT004759 CC(=O)[CoA].Oc1c[nH]c2ccccc12>>CC(=O)n1cc(O)c2ccccc21 RXN-22054
AKRT016615 N=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)c2[nH]1.Oc1c[nH]c2ccccc12>>OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_35909
AKRT021531 Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.Oc1c[nH]c2ccccc12>>OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_35909
AKRT022163 Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O.Oc1c[nH]c2ccccc12>>OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_35908
AKRT023882 O=P(O)(O)Oc1c[nH]c2ccccc12>>Oc1c[nH]c2ccccc12 enzymemap_55798
AKRT023912 O=S(=O)(O)Oc1c[nH]c2ccccc12>>Oc1c[nH]c2ccccc12 enzymemap_57860
AKRT024637 O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.Oc1c[nH]c2ccccc12>>O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O None
AKRT024638 O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.Oc1c[nH]c2ccccc12>>OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 2.4.1.220-RXN
AKRT024824 OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.Oc1c[nH]c2ccccc12 None
AKRT024825 OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O>>Oc1c[nH]c2ccccc12 enzymemap_58675
AKRT024862 O[C@H]1Nc2ccccc2[C@H]1O>>Oc1c[nH]c2ccccc12 RXN-9818
AKRT024867 Oc1c[nH]c2ccccc12.Oc1c[nH]c2ccccc12>>O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21 RXN-9820
AKRT024868 Oc1c[nH]c2ccccc12>>O=S(=O)(O)Oc1c[nH]c2ccccc12 RXN-15587
AKRT024869 Oc1c[nH]c2ccccc12>>Oc1[nH]c2ccccc2c1O MNXR134408
AKRT024977 c1ccc2[nH]ccc2c1>>Oc1c[nH]c2ccccc12 R02339