Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62807
- Core Entity Id
- 109825
- Source Entity Count
- 1
- Preferred Name
- 3-Methyl Butanol
- Name En
- Pubchem Id
- 31260
- Smiles Canonical
- CC(C)CCO
- Molecular Formula
- C5H12O
- Molecular Weight
- 88.1500
- Inchikey
- PHTQWCKDNZKARW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.2000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Methyl Butanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Methyl Butanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21190
Itcmdb Generated
ITX-INGREDIENT-1F7487544D09
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0