Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 656
- Core Entity Id
- 3923
- Source Entity Count
- 1
- Preferred Name
- 2,4,4'-trihydroxystilbene
- Name En
- Pubchem Id
- 10130775
- Smiles Canonical
- C1=CC(=CC=C1C=CC2=C(C=C(C=C2)O)O)O
- Molecular Formula
- C14H12O3
- Molecular Weight
- 228.2470
- Inchikey
- IXJPPNJJWDTLQX-DAFODLJHSA-N
- Inchi
- InChI=1S/C14H12O3/c15-12-6-2-10(3-7-12)1-4-11-5-8-13(16)9-14(11)17/h1-9,15-17H/b4-1+
- Isomeric Smiles
- C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9738
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4,4'-trihydroxystilbene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,4'-trihydroxystilbene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4,4'-trihydroxystilbene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4,4'-trihydroxy-trans-stilbene
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,4'-trihydroxy-trans-stilbene
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACon1_001132
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_001132
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2260730
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2260730
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_001165
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001165
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00169646-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00169646-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1822477
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1822477
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,4,4'-trihydroxy-trans-stilbeneACon1_001132CHEMBL2260730MEGxp0_001165NCGC00169646-01SCHEMBL1822477
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004215
Npass
NPC280673
Tcmid
21833
Pub Chem
10130775
Tcmbank
TCMBANKIN037554
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H12O3/c15-12-6-2-10(3-7-12)1-4-11-5-8-13(16)9-14(11)17/h1-9,15-17H/b4-1+
Mol Wt
228.247
Smiles
C1=CC(=CC=C1C=CC2=C(C=C(C=C2)O)O)O
Mol Log P
2.973800000000002
In Ch Ikey
IXJPPNJJWDTLQX-DAFODLJHSA-N
Mol2 Path
/TCM_database/2007_3d_all/21849.mol2
Reference
5038
Num Hdonors
3
Drug Likeness
0.692
Num Hacceptors
3
Isomeric Smiles
C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)O)O)O
Canonical Smiles
C1=CC(=CC=C1C=CC2=C(C=C(C=C2)O)O)O
Herb Alias Names
MEGxp0_001165SCHEMBL1822477CHEMBL2260730ACon1_0011322,4,4'-trihydroxy-trans-stilbeneNCGC00169646-01
Molecular Formula
C14H12O3
Molecular Formula
C14H12O3
Num Rotatable Bonds
2