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: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12179
- Core Entity Id
- 16705
- Source Entity Count
- 1
- Preferred Name
- Benzoin
- Name En
- Pubchem Id
- 8400
- Smiles Canonical
- C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
- Molecular Formula
- C14H12O2
- Molecular Weight
- 212.2480
- Inchikey
- ISAOCJYIOMOJEB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
- Isomeric Smiles
- C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6029
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Benzoin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Benzoin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
benzoin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+-)-Benzoin
Role
alias
Source
HERB_v2
Preferred
No
Name
(+-)-Benzoin
Role
alias
Source
itcmdb_public
Preferred
No
Name
119-53-9
Role
alias
Source
HERB_v2
Preferred
No
Name
119-53-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxy-1,2-diphenylethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxy-1,2-diphenylethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-2-phenylacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-2-phenylacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
579-44-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
579-44-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoylphenylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoylphenylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-BENZOIN
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-BENZOIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanone, 2-hydroxy-1,2-diphenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanone, 2-hydroxy-1,2-diphenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Hydroxybenzyl phenyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Hydroxybenzyl phenyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+-)-Benzoin119-53-92-Hydroxy-1,2-diphenylethanone2-Hydroxy-2-phenylacetophenone579-44-2BenzoylphenylcarbinolDL-BENZOINEthanone, 2-hydroxy-1,2-diphenyl-alpha-Hydroxybenzyl phenyl ketone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017798
Npass
NPC249067
Tcmid
33671
Pub Chem
8400
Tcmbank
TCMBANKIN025469
Drug Bank
DB14020
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
Mol Wt
212.248
Smiles
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
Mol Log P
2.6029
In Ch Ikey
ISAOCJYIOMOJEB-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.794
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
Canonical Smiles
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
Herb Alias Names
119-53-92-Hydroxy-1,2-diphenylethanone2-Hydroxy-2-phenylacetophenoneBenzoylphenylcarbinolDL-BENZOINEthanone, 2-hydroxy-1,2-diphenyl-579-44-2(+-)-Benzoinalpha-Hydroxybenzyl phenyl ketone
Molecular Weight
212.24 g/mol
Molecular Formula
C14H12O2
Molecular Formula
C14H12O2
Num Rotatable Bonds
3