Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62436
- Core Entity Id
- 109454
- Source Entity Count
- 1
- Preferred Name
- (Z)-3-Butylidene-7-Hydroxyphthalide
- Name En
- Pubchem Id
- 5281559
- Smiles Canonical
- CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1
- Molecular Formula
- C12H12O3
- Molecular Weight
- 204.2200
- Inchikey
- XLFDJKJEYMKLJX-YFHOEESVSA-N
- Inchi
- InChI=1S/C12H12O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-7,13H,2-3H2,1H3/b10-7-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.4000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)-3-Butylidene-7-Hydroxyphthalide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20019
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C12H12O3