Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 50212
- Core Entity Id
- 93223
- Source Entity Count
- 1
- Preferred Name
- (3s)-butylphthalide
- Name En
- Pubchem Id
- 11116832
- Smiles Canonical
- CCCCC1C2=CC=CC=C2C(=O)O1
- Molecular Formula
- C12H14O2
- Molecular Weight
- 190.2400
- Inchikey
- HJXMNVQARNZTEE-NSHDSACASA-N
- Inchi
- InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3/t11-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3s)-butylphthalide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3s)-butylphthalide
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009718
Tcm Id
15811
Pub Chem
11116832
Tcmbank
TCMBANKIN034023
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CCCCC1C2=CC=CC=C2C(=O)O1
Molecular Weight
190.24 g/mol
Molecular Formula
C12H14O2