Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 5Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40085
- Core Entity Id
- 79965
- Source Entity Count
- 1
- Preferred Name
- 1-vinylcyclohexanol
- Name En
- Pubchem Id
- 74741
- Smiles Canonical
- C=CC1(CCCCC1)O
- Molecular Formula
- C8H14O
- Molecular Weight
- 126.1990
- Inchikey
- ZXKHOVDDJMJXQP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
- Isomeric Smiles
- C=CC1(CCCCC1)O
- Cas Id
- 1940-19-8
- Ob Score
- 83.8880
- Mol Logp
- 1.8676
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Vinylcyclohexanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Vinylcyclohexanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-Vinylcyclohexanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Vinylcyclohexanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-vinylcyclohexanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-vinylcyclohexanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Ethenyl-cyclohexanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Ethenyl-cyclohexanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Ethenyl-cyclohexanol(9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
1-Vinyl cyclohexanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Vinyl cyclohexanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Vinyl-cyclohexanol-(1)
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Vinyl-cyclohexanol-(1)
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Vinyl-cyclohexanol-(1) [German]
Role
alias
Source
TCMBank
Preferred
No
Name
1-Vinylcyclohexan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Vinylcyclohexyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Vinylcyclohexyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Vinylcyclohexyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-ethenylcyclohexan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-ethenylcyclohexan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-ethenylcyclohexan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
1-vinyl-1-cyclohexanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-vinyl-cyclohexanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1940-19-8
Role
alias
Source
TCMBank
Preferred
No
Name
1940-19-8
Role
alias
Source
HERB_v2
Preferred
No
Name
1940-19-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-06-00-00222 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
556084_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-25140
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 1305659
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclohexanol, 1-ethenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclohexanol, 1-ethenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclohexanol, 1-ethenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclohexanol, 1-vinyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclohexanol, 1-vinyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclohexanol, 1-vinyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 217-718-7
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_003732
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 62184
Role
alias
Source
TCMBank
Preferred
No
Name
ghl.PD_Mitscher_leg0.953
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Ethenyl-cyclohexanol1-Ethenyl-cyclohexanol(9CI)1-Vinyl cyclohexanol1-Vinyl-cyclohexanol-(1)1-Vinyl-cyclohexanol-(1) [German]1-Vinylcyclohexan-1-ol1-Vinylcyclohexyl alcohol1-ethenylcyclohexan-1-ol1-vinyl-1-cyclohexanol1-vinyl-cyclohexanol1940-19-84-06-00-00222 (Beilstein Handbook Reference)556084_ALDRICHAI3-25140BRN 1305659Cyclohexanol, 1-ethenyl-Cyclohexanol, 1-vinyl-EINECS 217-718-7NCIOpen2_003732NSC 62184ghl.PD_Mitscher_leg0.953
Cross References
Trusted external identifiers retained for this final record.
Cas
1940-19-8
Herb
HBIN003370
Tcmsp
MOL011669
Sym Map
SMIT12540
Pub Chem
74741
Tcmbank
TCMBANKIN035361
Etcm Ingredient
1-Vinylcyclohexanol
Itcmdb Generated
ITX-INGREDIENT-54CB81BEB159
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
Mol Wt
126.199
Cas Id
1940-19-8
Smiles
C=CC1(CCCCC1)O
Mol Log P
1.8676
Version
v1,v2
In Ch Ikey
ZXKHOVDDJMJXQP-UHFFFAOYSA-N
Ob Score
83.88883.8880308383.888031
Suppress
0
Num Hdonors
1
Drug Likeness
0.532
Num Hacceptors
1
Isomeric Smiles
C=CC1(CCCCC1)O
Molecule Weight
126.22
Canonical Smiles
C=CC1(CCCCC1)O
Herb Alias Names
1940-19-81-ethenylcyclohexan-1-ol1-Vinyl cyclohexanolCyclohexanol, 1-vinyl-1-Vinylcyclohexyl alcoholCyclohexanol, 1-ethenyl-1-Ethenyl-cyclohexanol1-Vinyl-cyclohexanol-(1)1-vinyl-cyclohexanol
Molecular Weight
126.100
Molecular Weight
126.2
Molecular Formula
C8H14O
Molecular Formula
C8H14O
Molecular Formula
C8H14O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.532