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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39814
- Core Entity Id
- 76716
- Source Entity Count
- 1
- Preferred Name
- 1-propenyl-cyclohexane
- Name En
- Pubchem Id
- 316565
- Smiles Canonical
- CC=CC1CCCCC1
- Molecular Formula
- C9H16
- Molecular Weight
- 124.2270
- Inchikey
- IAHIMVFWYADCJJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,6,9H,3-5,7-8H2,1H3
- Isomeric Smiles
- CC=CC1CCCCC1
- Cas Id
- Ob Score
- Mol Logp
- 3.1428
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Propenyl-Cyclohexane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-Propenyl-cyclohexane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-propenyl-cyclohexane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-propenyl-cyclohexane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-propenyl-cyclohexane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(Prop-1-en-1-yl)cyclohexane
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Prop-1-en-1-yl)cyclohexane
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70870939
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70870939
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Prop-1-en-1-yl)cyclohexaneDTXSID70870939
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003002
Tcmid
17906
Sym Map
SMIT20282
Pub Chem
3165655358314
Tcmbank
TCMBANKIN024872
Etcm Ingredient
1-Propenyl-cyclohexane
Itcmdb Generated
ITX-INGREDIENT-03A28135E282ITX-INGREDIENT-EAE66D4609D4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,6,9H,3-5,7-8H2,1H3
Mol Wt
124.227
Smiles
CC=CC1CCCCC1
Mol Log P
3.142800000000002
Version
v2
In Ch Ikey
IAHIMVFWYADCJJ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.471
Num Hacceptors
0
Isomeric Smiles
CC=CC1CCCCC1
Canonical Smiles
CC=CC1CCCCC1
Herb Alias Names
(Prop-1-en-1-yl)cyclohexaneDTXSID70870939
Molecular Weight
124.130
Molecular Weight
124.22 g/mol
Molecular Formula
C9H16
Molecular Formula
C9H16
Molecular Formula
C9H16
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.076
Quantitative Estimate Of Drug Likeness（Qed）
0.496