Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38055
- Core Entity Id
- 61466
- Source Entity Count
- 1
- Preferred Name
- 1,2-epoxyethylbenzene
- Name En
- Pubchem Id
- 7276
- Smiles Canonical
- C1C(O1)C2=CC=CC=C2
- Molecular Formula
- C8H8O
- Molecular Weight
- 120.1510
- Inchikey
- AWMVMTVKBNGEAK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
- Isomeric Smiles
- C1C(O1)C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 1.7579
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2-Epoxyethylbenzene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2-epoxyethylbenzene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,2-epoxyethylbenzene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-Phenyloxirane
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Phenyloxirane
Role
alias
Source
itcmdb_public
Preferred
No
Name
96-09-3
Role
alias
Source
HERB_v2
Preferred
No
Name
96-09-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epoxystyrene
Role
alias
Source
HERB_v2
Preferred
No
Name
Epoxystyrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxirane, phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxirane, phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenylethylene oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylethylene oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenyloxirane
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenyloxirane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Styrene epoxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Styrene epoxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Styrene oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Styrene oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Styryl oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Styryl oxide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Phenyloxirane96-09-3EpoxystyreneOxirane, phenyl-Phenylethylene oxidePhenyloxiraneStyrene epoxideStyrene oxideStyryl oxide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000847
Tcmid
40374
Pub Chem
7276
Tcmbank
TCMBANKIN024439
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
Mol Wt
120.151
Smiles
C1C(O1)C2=CC=CC=C2
Mol Log P
1.7579
In Ch Ikey
AWMVMTVKBNGEAK-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.514
Num Hacceptors
1
Isomeric Smiles
C1C(O1)C2=CC=CC=C2
Canonical Smiles
C1C(O1)C2=CC=CC=C2
Herb Alias Names
Styrene oxide2-Phenyloxirane96-09-3PhenyloxiranePhenylethylene oxideEpoxystyreneOxirane, phenyl-Styrene epoxideStyryl oxide
Molecular Weight
120.15 g/mol
Molecular Formula
C8H8O
Molecular Formula
C8H8O
Num Rotatable Bonds
1