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
- 37368
- Core Entity Id
- 44742
- Source Entity Count
- 1
- Preferred Name
- Ε-iso-viniferin
- Name En
- Pubchem Id
- 5315232
- Smiles Canonical
- C1=CC(=CC=C1C=CC2=CC(=CC3=C2C(C(O3)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O)O
- Molecular Formula
- C28H22O6
- Molecular Weight
- 454.4780
- Inchikey
- FQWLMRXWKZGLFI-DAFODLJHSA-N
- Inchi
- InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+
- Isomeric Smiles
- C1=CC(=CC=C1/C=C/C2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.6506
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ε-iso-viniferin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ε-iso-viniferin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ε-iso-viniferin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
山葡萄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN PU TAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Amur Grape
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-ε-viniferin
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-.epsilon.-Viniferin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-.epsilon.-Viniferin
Role
alias
Source
HERB_v2
Preferred
No
Name
400822-44-8
Role
alias
Source
HERB_v2
Preferred
No
Name
400822-44-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948400
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948400
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5281385
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5281385
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC634719
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC634719
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1903054
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1903054
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL8040737
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL8040737
Role
alias
Source
HERB_v2
Preferred
No
Name
Viniferin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Viniferin
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山葡萄SHAN PU TAOAmur Grape(+)-ε-viniferin(-)-.epsilon.-Viniferin400822-44-85-[2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diolAKOS032948400CHEMBL5281385NSC634719SCHEMBL1903054SCHEMBL8040737Viniferin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN049230HBIN049232
Npass
NPC76424
Tcmid
2249022492
Pub Chem
5315232
Tcmbank
TCMBANKIN015458TCMBANKIN058208
Itcmdb Generated
ITX-INGREDIENT-16BD7F6A4620
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+
Mol Wt
454.4780000000001
Smiles
C1=CC(=CC=C1C=CC2=CC(=CC3=C2C(C(O3)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O)O
Mol Log P
5.650600000000008
In Ch Ikey
FQWLMRXWKZGLFI-DAFODLJHSA-N
Tcm Name
山葡萄
Tcm Name2
SHAN PU TAO
Mol2 Path
/TCM_database/2007_3d_all/22508.mol2
Reference
2233, 2234
Num Hdonors
5
Tcm Name En
Amur Grape
Drug Likeness
0.255
Num Hacceptors
6
Isomeric Smiles
C1=CC(=CC=C1/C=C/C2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
Canonical Smiles
C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
Herb Alias Names
Viniferin5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol400822-44-85-[2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol(-)-.epsilon.-ViniferinNSC634719SCHEMBL1903054SCHEMBL8040737CHEMBL5281385AKOS032948400
Molecular Formula
C28H22O6
Molecular Formula
C28H22O6
Num Rotatable Bonds
4