Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6969
- Core Entity Id
- 10926
- Source Entity Count
- 1
- Preferred Name
- 5-hydroxy-4',7-dimethoxydihydroflavone
- Name En
- Pubchem Id
- 14057197
- Smiles Canonical
- COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- CKEXCBVNKRHAMX-OAHLLOKOSA-N
- Inchi
- InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3/t15-/m1/s1
- Isomeric Smiles
- COC1=CC=C(C=C1)[C@H]2CC(=O)C3=C(C=C(C=C3O2)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1159
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Hydroxy-4',7-dimethoxydihydroflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-Hydroxy-4',7-dimethoxydihydroflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxy-4',7-dimethoxydihydroflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-hydroxy-4',7-dimethoxydihydroflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
长叶天名精
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG YE TIAN MING JING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Longleaf Carpesium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长叶天名精CHANG YE TIAN MING JINGLongleaf Carpesium
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011611
Npass
NPC233752
Tcmid
10019
Pub Chem
14057197
Tcmbank
TCMBANKIN011676
Etcm Ingredient
5-Hydroxy-4',7-dimethoxydihydroflavone
Itcmdb Generated
ITX-INGREDIENT-43CE493BB2D7ITX-INGREDIENT-6017309A83F7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3/t15-/m1/s1
Mol Wt
300.31
Mol Log P
3.115900000000002
In Ch Ikey
CKEXCBVNKRHAMX-OAHLLOKOSA-N
Tcm Name
长叶天名精
Tcm Name2
CHANG YE TIAN MING JING
Mol2 Path
/TCM_database/2007_3d_all/10020.mol2
Reference
4736
Num Hdonors
1
Tcm Name En
Longleaf Carpesium
Drug Likeness
0.943
Num Hacceptors
5
Isomeric Smiles
COC1=CC=C(C=C1)[C@H]2CC(=O)C3=C(C=C(C=C3O2)OC)O
Canonical Smiles
COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O
Molecular Weight
330.150
Molecular Formula
C19H22O5
Molecular Formula
C17H16O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.910
Quantitative Estimate Of Drug Likeness（Qed）
0.943