Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 48711
- Core Entity Id
- 91722
- Source Entity Count
- 1
- Preferred Name
- 1,8-Menthadien-10-Ol Acetate
- Name En
- Pubchem Id
- 61781
- Smiles Canonical
- C=C(COC(C)=O)C1CC=C(C)CC1
- Molecular Formula
- C12H18O2
- Molecular Weight
- 194.1300
- Inchikey
- BCTDJPZNMXPMIA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,8-Menthadien-10-Ol Acetate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,8-Menthadien-10-ol acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,8-menthadien-10-ol acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002138
Tcmbank
TCMBANKIN029319
Etcm Ingredient
1,8-Menthadien-10-ol acetate
Itcmdb Generated
ITX-INGREDIENT-DB790C37A374
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1=CCC(CC1)C(=C)COC(=O)C
Version
v1,v2
Suppress
0
Molecular Weight
194.130
Molecular Formula
C12H18O2
Fda Maximum Daily Dose (Fdamdd)
0.819
Quantitative Estimate Of Drug Likeness（Qed）
0.510