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
- 41583
- Core Entity Id
- 84594
- Source Entity Count
- 1
- Preferred Name
- Lavandulol
- Name En
- Pubchem Id
- 5464156
- Smiles Canonical
- CC(=CCC(CO)C(=C)C)C
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.1400
- Inchikey
- CZVXBFUKBZRMKR-JTQLQIEISA-N
- Inchi
- InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Lavandulol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lavandulol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lavandulol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
槁本
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAO BEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Ligusticum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Lavandulol槁本GAO BENChinese Ligusticum
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25024
Tcmbank
TCMBANKIN005000
Etcm Ingredient
(-)-Lavandulol
Itcmdb Generated
ITX-INGREDIENT-8C2BE3F59AFFITX-INGREDIENT-AC0802E2F9CBITX-INGREDIENT-B8683B00B76E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
槁本
Tcm Name2
GAO BEN
Mol2 Path
/TCM_database/2007_3d_all/12578.mol2
Reference
660
Tcm Name En
Chinese Ligusticum
Molecular Weight
154.140
Molecular Formula
C10H18O
Fda Maximum Daily Dose (Fdamdd)
0.062
Quantitative Estimate Of Drug Likeness（Qed）
0.617