Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17810
- Core Entity Id
- 22969
- Source Entity Count
- 1
- Preferred Name
- Eb
- Name En
- Pubchem Id
- 7500
- Smiles Canonical
- CCC1=CC=CC=C1
- Molecular Formula
- C8H10
- Molecular Weight
- 106.1680
- Inchikey
- YNQLUTRBYVCPMQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
- Isomeric Smiles
- CCC1=CC=CC=C1
- Cas Id
- 70955-17-8
- Ob Score
- 49.3830
- Mol Logp
- 2.2490
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
EB
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
EB
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eb
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Eb
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eb
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
100-41-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
100-41-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Aethylbenzol
Role
alias
Source
HERB_v2
Preferred
No
Name
Aethylbenzol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzene, ethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzene, ethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
ETHYLBENZENE
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethyl benzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethylbenzeen
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethylbenzeen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethylbenzol
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethylbenzol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethylenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethylenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Etilbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Etilbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenylethane
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylethane
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
100-41-4AethylbenzolBenzene, ethyl-ETHYLBENZENEEthyl benzeneEthylbenzeenEthylbenzolEthylenzeneEtilbenzenePhenylethane
Cross References
Trusted external identifiers retained for this final record.
Cas
100-41-470955-17-8
Herb
HBIN024749HBIN025886HBIN025887
Npass
NPC65873
Tcmid
235032490636663
Tcmsp
MOL002678
Sym Map
SMIT02339SMIT02618SMIT04876
Tcm Id
4472
Pub Chem
7500
Tcmbank
TCMBANKIN060735
Etcm Ingredient
EB
Itcmdb Generated
ITX-INGREDIENT-64B3B47488C9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Mol Wt
106.168
Cas Id
70955-17-8100-41-4
Smiles
CCC1=CC=CC=C1
Mol Log P
2.249000000000001
Version
v1,v2
In Ch Ikey
YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Ob Score
49.38349.3832877349.383288
Suppress
0
Num Hdonors
0
Drug Likeness
0.515
Num Hacceptors
0
Isomeric Smiles
CCC1=CC=CC=C1
Molecule Weight
106.18
Canonical Smiles
CCC1=CC=CC=C1
Herb Alias Names
ETHYLBENZENE100-41-4PhenylethaneEthylbenzolBenzene, ethyl-Ethyl benzeneAethylbenzolEthylenzeneEthylbenzeenEtilbenzene
Molecular Weight
106.080
Molecular Weight
106.16 g/mol
Molecular Formula
C8H10
Molecular Formula
C8H10
Molecular Formula
C8H10
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.515