Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Reference: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34481
- Core Entity Id
- 41522
- Source Entity Count
- 1
- Preferred Name
- Tambulin
- Name En
- Pubchem Id
- 5281700
- Smiles Canonical
- COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O
- Molecular Formula
- C18H16O7
- Molecular Weight
- 344.3190
- Inchikey
- KAPZSMYEZDLAFB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-15(21)14(20)13-11(19)8-12(23-2)17(24-3)18(13)25-16/h4-8,19,21H,1-3H3
- Isomeric Smiles
- COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8970
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tambulin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tambulin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tambulin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
双色金广聚
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUANG SE JIN GUANG JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Pinewoods Coneflower
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
571-72-2
Role
alias
Source
HERB_v2
Preferred
No
Name
571-72-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9395
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9395
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL478811
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL478811
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40415179
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40415179
Role
alias
Source
HERB_v2
Preferred
No
Name
Herbacetin 7,8,4'-trimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Herbacetin 7,8,4'-trimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4742083
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4742083
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
双色金广聚SHUANG SE JIN GUANG JUPinewoods Coneflower3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one571-72-2CHEBI:9395CHEMBL478811DTXSID40415179Herbacetin 7,8,4'-trimethyl etherSCHEMBL4742083
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045462
Npass
NPC86485
Tcmid
20649
Pub Chem
5281700
Tcmbank
TCMBANKIN037829
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-15(21)14(20)13-11(19)8-12(23-2)17(24-3)18(13)25-16/h4-8,19,21H,1-3H3
Mol Wt
344.319
Mol Log P
2.897000000000002
In Ch Ikey
KAPZSMYEZDLAFB-UHFFFAOYSA-N
Tcm Name
双色金广聚
Tcm Name2
SHUANG SE JIN GUANG JU
Mol2 Path
/TCM_database/2007_3d_all/20665.mol2
Reference
1521
Num Hdonors
2
Tcm Name En
Pinewoods Coneflower
Drug Likeness
0.751
Num Hacceptors
7
Isomeric Smiles
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O
Canonical Smiles
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)O
Herb Alias Names
571-72-2CHEBI:9395Herbacetin 7,8,4'-trimethyl ether3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-oneDTXSID404151793,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl) chromen-4-one3,5-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-oneCHEMBL478811SCHEMBL4742083
Molecular Weight
344.3 g/mol
Molecular Formula
C18H16O7
Num Rotatable Bonds
4