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
- 69937
- Core Entity Id
- 132586
- Source Entity Count
- 1
- Preferred Name
- all-trans-retinal
- Name En
- Pubchem Id
- 638015
- Smiles Canonical
- CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
- Molecular Formula
- C20H28O
- Molecular Weight
- 284.2100
- Inchikey
- NCYCYZXNIZJOKI-OVSJKPMPSA-N
- Inchi
- InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.2000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
all-trans-retinal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
all-trans-retinal
Itcmdb Generated
ITX-INGREDIENT-4904A0781DCA
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
284.210
Molecular Formula
C20H28O
Fda Maximum Daily Dose (Fdamdd)
0.766
Quantitative Estimate Of Drug Likeness（Qed）
0.358