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
- 20564
- Core Entity Id
- 26040
- Source Entity Count
- 1
- Preferred Name
- Gnaphaliin
- Name En
- Pubchem Id
- 9972910
- Smiles Canonical
- COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
- Molecular Formula
- C17H14O6
- Molecular Weight
- 314.2930
- Inchikey
- OWQLBLNRUZULFV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8884
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gnaphaliin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gnaphaliin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
gnaphaliin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-O-Methyl-8-methoxygalangin
Role
alias
Source
HERB_v2
Preferred
No
Name
3-O-Methyl-8-methoxygalangin
Role
alias
Source
itcmdb_public
Preferred
No
Name
33803-42-8
Role
alias
Source
HERB_v2
Preferred
No
Name
33803-42-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-3,8-dimethoxy-2-phenylchromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-3,8-dimethoxy-2-phenylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-3,8-dimethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-3,8-dimethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_000796
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_000796
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL560724
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL560724
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavone + 2O + 2MeO
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavone + 2O + 2MeO
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_000457
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_000457
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19267483
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19267483
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-O-Methyl-8-methoxygalangin33803-42-85,7-dihydroxy-3,8-dimethoxy-2-phenylchromen-4-one5,7-dihydroxy-3,8-dimethoxyflavoneACon1_000796CHEMBL560724Flavone + 2O + 2MeOMEGxp0_000457SCHEMBL19267483
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028218
Npass
NPC245546
Tcmid
8864
Pub Chem
9972910
Tcmbank
TCMBANKIN046359
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3
Mol Wt
314.2929999999999
Smiles
COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
Mol Log P
2.888400000000003
In Ch Ikey
OWQLBLNRUZULFV-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/08865.mol2
Reference
4415
Num Hdonors
2
Drug Likeness
0.772
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
Canonical Smiles
COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O
Herb Alias Names
33803-42-85,7-dihydroxy-3,8-dimethoxyflavone5,7-dihydroxy-3,8-dimethoxy-2-phenylchromen-4-one3-O-Methyl-8-methoxygalanginFlavone + 2O + 2MeOCHEMBL560724MEGxp0_000457SCHEMBL19267483ACon1_000796
Molecular Weight
314.29 g/mol
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Num Rotatable Bonds
3