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⚗️ Ingredient

Narirutin

1
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Narirutin
📋 Sample Trials
NCT04234100
Bioavailability of Hesperidine and Narirutin From Orange Juice to Identify Metabotypes in Hypertension
Completed
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Narirutin
⚗️ Identity
Name
Narirutin
Aliases / Synonyms
14259-46-2; Isonaringenin; Isonaringin; (2S)-Narirutin; Naringenin 7-O-rutinoside; Naringenin-7-O-rutinoside; CHEBI:28705; 06M5EAT0YC; Naringenin 7-beta-rutinoside
🧪 Chemistry
Molecular Weight
580.5390
LogP
-1.1652
Drug-likeness
0.202
Oral Bioavailability
8.1480
H-Bond Acceptors
14
H-Bond Donors
8
Rotatable Bonds
6
🔬 Structures
Canonical SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
InChIKey
HXTFHSYLYXVTHC-AJHDJQPGSA-N
InChI
InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
🔗 External References
PubChem CID
CAS Number
NPASS
NPC271270
TCMID
15279
TCMSP
MOL013336
TCM-ID
2420
🔍 Raw view — every non-empty column on this row (32 fields)
name
Narirutin
common names
14259-46-2; Isonaringenin; Isonaringin; (2S)-Narirutin; Naringenin 7-O-rutinoside; Naringenin-7-O-rutinoside; CHEBI:28705; 06M5EAT0YC; Naringenin 7-beta-rutinoside
herb ingredient id
HBIN036381
canonical smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
isomeric smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
inchi
InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
inchikey
HXTFHSYLYXVTHC-AJHDJQPGSA-N
mol wt
580.5390
num h acceptors
14
num h donors
8
mol logp
-1.1652
num rotatable bonds
6
drug likeness
0.202
ob score
8.1480
cas id
14259-46-2
tcmid ingredient id
15279
tcmsp ingredient id
MOL013336
tcm id ingredient id
2420
pubchem cid
442431
npass id
NPC271270

📋 Clinical Trials

1 · subject of clinical study
NCT04234100 Bioavailability of Hesperidine and Narirutin From Orange Juice to Identify Metab
→ Blood Pressure|Hypertension
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: ACTIVE — direct link via herb_ingredients
  • Ingredient ↔ Target: ACTIVE — direct link via ingredient_targets
  • Target ↔ Disease: ACTIVE — direct link via target_health_topics
  • Herb → Target → Disease (full chemical spine): ACTIVE — joins all three link tables