Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 6Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39985
- Core Entity Id
- 78596
- Source Entity Count
- 1
- Preferred Name
- (1s,2s)-2-ethylcyclohexan-1-ol
- Name En
- Pubchem Id
- 6994303
- Smiles Canonical
- CCC1CCCCC1O
- Molecular Formula
- C8H16O
- Molecular Weight
- 128.2150
- Inchikey
- CFYUBZHJDXXXQE-YUMQZZPRSA-N
- Inchi
- InChI=1S/C8H16O/c1-2-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3/t7-,8-/m0/s1
- Isomeric Smiles
- CC[C@H]1CCCC[C@@H]1O
- Cas Id
- 3760-20-1
- Ob Score
- 22.4590
- Mol Logp
- 1.9475
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,2S)-2-Ethylcyclohexan-1-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1S,2S)-2-Ethylcyclohexan-1-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1S,2S)-2-ethylcyclohexan-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1S,2S)-2-ethylcyclohexan-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1s,2s)-2-ethylcyclohexan-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1s,2s)-2-ethylcyclohexan-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1S,2S)-2-ethyl-1-cyclohexanol
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL13973916
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13973916
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC01690976
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,2S)-2-ethyl-1-cyclohexanolSCHEMBL13973916ZINC01690976
Cross References
Trusted external identifiers retained for this final record.
Cas
3760-20-1
Herb
HBIN003223
Tcmsp
MOL012875
Sym Map
SMIT13601
Pub Chem
6994303
Tcmbank
TCMBANKIN026346
Etcm Ingredient
(1S,2S)-2-ethylcyclohexan-1-ol
Itcmdb Generated
ITX-INGREDIENT-F858B5DFE8CB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H16O/c1-2-7-5-3-4-6-8(7)9/h7-9H,2-6H2,1H3/t7-,8-/m0/s1
Mol Wt
128.215
Cas Id
3760-20-1
Mol Log P
1.9475
Version
v1,v2
In Ch Ikey
CFYUBZHJDXXXQE-YUMQZZPRSA-N
Ob Score
22.4589785322.45897922.459
Suppress
0
Num Hdonors
1
Drug Likeness
0.572
Num Hacceptors
1
Isomeric Smiles
CC[C@H]1CCCC[C@@H]1O
Molecule Weight
128.24
Canonical Smiles
CCC1CCCCC1O
Herb Alias Names
SCHEMBL13973916
Molecular Weight
128.120
Molecular Weight
128.21
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.038
Quantitative Estimate Of Drug Likeness（Qed）
0.572