Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64651
- Core Entity Id
- 111669
- Source Entity Count
- 1
- Preferred Name
- Retinoic Acid
- Name En
- Pubchem Id
- 444795
- Smiles Canonical
- CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
- Molecular Formula
- C20H28O2
- Molecular Weight
- 300.4000
- Inchikey
- SHGAZHPCJJPHSC-YCNIQYBTSA-N
- Inchi
- InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.3000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Retinoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26481
Itcmdb Generated
ITX-INGREDIENT-0FB025EDEE54
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0