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
- 68455
- Core Entity Id
- 131104
- Source Entity Count
- 1
- Preferred Name
- 4,6,6-trimethyl-bicyclo[3.1.1]hept-3-en-2-ol
- Name En
- Pubchem Id
- 61126
- Smiles Canonical
- CC1=CC(C2CC1C2(C)C)O
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.1200
- Inchikey
- WONIGEXYPVIKFS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.6000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,6,6-trimethyl-bicyclo[3.1.1]hept-3-en-2-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4,6,6-trimethyl-bicyclo[3.1.1]hept-3-en-2-ol
Itcmdb Generated
ITX-INGREDIENT-3C3A8591DFBF
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
152.120
Molecular Formula
C10H16O
Fda Maximum Daily Dose (Fdamdd)
0.501
Quantitative Estimate Of Drug Likeness（Qed）
0.526