Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69090
- Core Entity Id
- 131739
- Source Entity Count
- 1
- Preferred Name
- 6-(hydroxymethyl)-1,4,4-trimethylbicyclo[3.1.0]hexan-2-ol
- Name En
- Pubchem Id
- 538067
- Smiles Canonical
- CC1(CC(C2(C1C2CO)C)O)C
- Molecular Formula
- C10H18O2
- Molecular Weight
- 170.1300
- Inchikey
- JFOUPSUZKRTLIX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O2/c1-9(2)4-7(12)10(3)6(5-11)8(9)10/h6-8,11-12H,4-5H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.2000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-(hydroxymethyl)-1,4,4-trimethylbicyclo[3.1.0]hexan-2-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6-(hydroxymethyl)-1,4,4-trimethylbicyclo[3.1.0]hexan-2-ol
Itcmdb Generated
ITX-INGREDIENT-D8749CE9B576
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
170.130
Molecular Formula
C10H18O2
Fda Maximum Daily Dose (Fdamdd)
0.086
Quantitative Estimate Of Drug Likeness（Qed）
0.617