Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63405
- Core Entity Id
- 110423
- Source Entity Count
- 1
- Preferred Name
- Cyclo(Tyr-Tyr)
- Name En
- Pubchem Id
- 192816
- Smiles Canonical
- C1=CC(=CC=C1CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O)O
- Molecular Formula
- C18H18N2O4
- Molecular Weight
- 326.1300
- Inchikey
- NGPCLOGFGKJCBP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 98.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclo(Tyr-Tyr)
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cyclo(Tyr-Tyr)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
cyclo(Tyr-Tyr)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23213
Etcm Ingredient
cyclo(Tyr-Tyr)
Itcmdb Generated
ITX-INGREDIENT-B7F120AF69F9ITX-INGREDIENT-C31E4BC06A7E
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecular Weight
326.130
Molecule Formula
C16H26N2O5
Molecular Formula
C18H18N2O4
Fda Maximum Daily Dose (Fdamdd)
0.360
Quantitative Estimate Of Drug Likeness（Qed）
0.670