Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34894
- Core Entity Id
- 41972
- Source Entity Count
- 1
- Preferred Name
- Ternatin
- Name En
- Pubchem Id
- 5459184
- Smiles Canonical
- COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC)O
- Molecular Formula
- C19H18O8
- Molecular Weight
- 374.3450
- Inchikey
- DGUWNYKZOJRCQQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H18O8/c1-23-12-7-9(5-6-10(12)20)16-19(26-4)15(22)14-11(21)8-13(24-2)17(25-3)18(14)27-16/h5-8,20-21H,1-4H3
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9056
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ternatin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ternatin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ternatin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
黏性埃勒菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIAN XING AI LEI JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
571-71-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
571-71-1
Role
alias
Source
HERB_v2
Preferred
No
Name
G60G0VQS3I
Role
alias
Source
HERB_v2
Preferred
No
Name
G60G0VQS3I
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-640328
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-640328
Role
alias
Source
HERB_v2
Preferred
No
Name
TERNATIN (FLAVONE)
Role
alias
Source
HERB_v2
Preferred
No
Name
TERNATIN (FLAVONE)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ternatin (flavonoid)
Role
alias
Source
HERB_v2
Preferred
No
Name
Ternatin (flavonoid)
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黏性埃勒菊NIAN XING AI LEI JU4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone5,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavone5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxychromen-4-one571-71-1G60G0VQS3INSC-640328TERNATIN (FLAVONE)Ternatin (flavonoid)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045954
Npass
NPC152166
Tcmid
20962
Pub Chem
5459184
Tcmbank
TCMBANKIN040195
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H18O8/c1-23-12-7-9(5-6-10(12)20)16-19(26-4)15(22)14-11(21)8-13(24-2)17(25-3)18(14)27-16/h5-8,20-21H,1-4H3
Mol Wt
374.3450000000001
Mol Log P
2.905600000000001
In Ch Ikey
DGUWNYKZOJRCQQ-UHFFFAOYSA-N
Tcm Name
黏性埃勒菊
Tcm Name2
NIAN XING AI LEI JU
Mol2 Path
/TCM_database/2007_3d_all/20978.mol2
Reference
660, 1521, 5448
Num Hdonors
2
Drug Likeness
0.702
Num Hacceptors
8
Isomeric Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC)O
Canonical Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC)O
Herb Alias Names
571-71-14',5-Dihydroxy-3,3',7,8-tetramethoxyflavoneTernatin (flavonoid)5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxychromen-4-oneG60G0VQS3INSC-6403285,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavoneNSC640328TERNATIN (FLAVONE)
Molecular Weight
374.3 g/mol
Molecular Formula
C19H18O8
Num Rotatable Bonds
5