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5-Hydroxytryptophol

AlkaPlorer ID: AK013477

Synonym: '', '5-Hydroxyindole-acetic acid', '5-Hydroxy-3-indoleacetic acid', '5-Hydroxytryptophol', '5-Hydroxy-3-indole', '5-Hydroxyindole-3-ethanol', '5-Hydroxyindoacetic acid', '5-Hydroxyindol', 'Hydroxyindoleacetic acid', '5-HTOL', '5-Hydroxy-1H-indole-3-ethanol', '5-Hydroxy-1H-Indole-3-ethanol(9CI)', '5-Hydroxy-3-(2-hydroxyethyl)-indole', '154-02-9', '5-Hydroxyindolacetate', 'Hydroxytryptophol', '5-Hydroxy-indole-acetic acid', '5-Hydroxyindolacetic acid'

IUPAC Name: 3-(2-hydroxyethyl)-1H-indol-5-ol

Structure

SMILES: OCCC1=CNC2=CC=C(O)C=C12

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InChI: InChI=1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2

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InChIKey: KQROHCSYOGBQGJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Hyrtios erectus Hyrtios Thorectidae Dictyoceratida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 177.20299999999995

TPSA？: 56.25

MolLogP？: 1.4083

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014743 C[SAH].OCCc1c[nH]c2ccc(O)cc12>>COc1ccc2[nH]cc(CCO)c2c1 MNXR103698
AKRT023183 O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.OCCc1c[nH]c2ccc(O)cc12>>O=C(O)[C@H]1O[C@@H](Oc2ccc3[nH]cc(CCO)c3c2)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_34695
AKRT023184 O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.OCCc1c[nH]c2ccc(O)cc12>>O=C(O)[C@H]1O[C@H](Oc2ccc3[nH]cc(CCO)c3c2)[C@H](O)[C@@H](O)[C@@H]1O RXN-10784
AKRT023688 O=CCc1c[nH]c2ccc(O)cc12>>OCCc1c[nH]c2ccc(O)cc12 RXN-10781
AKRT024814 OCCc1c[nH]c2ccc(O)cc12>>O=S(=O)(O)Oc1ccc2[nH]cc(CCO)c2c1 RXN-10782