Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16253
- Core Entity Id
- 21234
- Source Entity Count
- 1
- Preferred Name
- Daucoidin a
- Name En
- Pubchem Id
- 56776196
- Smiles Canonical
- CC=C(C)C(=O)OC(C)(C)C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O
- Molecular Formula
- C19H20O6
- Molecular Weight
- 344.3630
- Inchikey
- GZAQAICYIHWIAX-YHYXMXQVSA-N
- Inchi
- InChI=1S/C19H20O6/c1-5-10(2)18(22)25-19(3,4)17-15(21)14-12(23-17)8-6-11-7-9-13(20)24-16(11)14/h5-9,15,17,21H,1-4H3/b10-5-
- Isomeric Smiles
- C/C=C(/C)\C(=O)OC(C)(C)C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8754
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Daucoidin A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Daucoidin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Daucoidin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Daucoidin A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Daucoidin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Daucoidin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
前胡
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QIAN HU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Hogfennel
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
103629-87-4
Role
alias
Source
HERB_v2
Preferred
No
Name
103629-87-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00384594-01!2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00384594-01!2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
前胡QIAN HUCommon Hogfennel103629-87-42-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoateNCGC00384594-01!2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022762
Tcmid
4676
Sym Map
SMIT14901
Pub Chem
56776196
Tcmbank
TCMBANKIN049156
Etcm Ingredient
Daucoidin A
Itcmdb Generated
ITX-INGREDIENT-CBAB404556A0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H20O6/c1-5-10(2)18(22)25-19(3,4)17-15(21)14-12(23-17)8-6-11-7-9-13(20)24-16(11)14/h5-9,15,17,21H,1-4H3/b10-5-
Mol Wt
344.3630000000001
Mol Log P
2.875400000000001
Version
v1,v2
In Ch Ikey
GZAQAICYIHWIAX-YHYXMXQVSA-N
Suppress
0
Tcm Name
前胡
Tcm Name2
QIAN HU
Mol2 Path
/TCM_database/2007_3d_all/04677.mol2
Reference
9
Num Hdonors
1
Tcm Name En
Common Hogfennel
Drug Likeness
0.523
Num Hacceptors
6
Isomeric Smiles
C/C=C(/C)\C(=O)OC(C)(C)C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O
Canonical Smiles
CC=C(C)C(=O)OC(C)(C)C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O
Herb Alias Names
103629-87-42-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoateNCGC00384594-01!2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
Molecular Weight
344.130
Molecular Weight
344.4 g/mol
Molecule Formula
C19H20O6
Molecular Formula
C19H20O6
Molecular Formula
C19H20O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.109
Quantitative Estimate Of Drug Likeness（Qed）
0.523