Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24519
- Core Entity Id
- 30442
- Source Entity Count
- 1
- Preferred Name
- Licoagroisoflavone
- Name En
- Pubchem Id
- 636883
- Smiles Canonical
- CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O
- Molecular Formula
- C20H16O5
- Molecular Weight
- 336.3430
- Inchikey
- CQXOSSCKEFRIBR-OAHLLOKOSA-N
- Inchi
- InChI=1S/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3/t15-/m1/s1
- Isomeric Smiles
- CC(=C)[C@H]1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O
- Cas Id
- Ob Score
- 57.2820
- Mol Logp
- 3.7508
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Licoagroisoflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Licoagroisoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Licoagroisoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Licoagroisoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Licoagroisoflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Licoagroisoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
刺果甘草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CI GUO GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Pricklyfruit Licorice
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-isopropenyl-2,3-dihydrofuro[3,2-g]chromen-5-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
382137-37-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
382137-37-3
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxy-6-(4-hydroxy-phenyl)-2-isopropenyl-2,3-dihydro-furo[3,2-g]chromen-5-one
Role
alias
Source
TCMBank
Preferred
No
Name
4-hydroxy-6-(4-hydroxyphenyl)-2-isopropenyl-2,3-dihydro-5H-furo[3,2-g]chromen-5-one
Role
alias
Source
TCMBank
Preferred
No
Name
5''-(S)-5,4'-Dihydroxy-5''-isopropenyl-4'',5''-dihydrofurano[2'',3'':6,7]isoflavone
Role
alias
Source
TCMBank
Preferred
No
Name
5H-furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-4-hydroxy-6-(4-hydroxyphenyl)-2-(1-methylethenyl)-, (2R)-
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:70035
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:70035
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1689288
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1689288
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3/t15-/m1/s
Role
alias
Source
TCMBank
Preferred
No
Name
Q27138375
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138375
Role
alias
Source
HERB_v2
Preferred
No
Name
licoagroisoflavone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
刺果甘草CI GUO GAN CAOPricklyfruit Licorice(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-isopropenyl-2,3-dihydrofuro[3,2-g]chromen-5-one(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one382137-37-34-Hydroxy-6-(4-hydroxy-phenyl)-2-isopropenyl-2,3-dihydro-furo[3,2-g]chromen-5-one4-hydroxy-6-(4-hydroxyphenyl)-2-isopropenyl-2,3-dihydro-5H-furo[3,2-g]chromen-5-one5''-(S)-5,4'-Dihydroxy-5''-isopropenyl-4'',5''-dihydrofurano[2'',3'':6,7]isoflavone5H-furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-4-hydroxy-6-(4-hydroxyphenyl)-2-(1-methylethenyl)-, (2R)-CHEBI:70035CHEMBL1689288InChI=1/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3/t15-/m1/sQ27138375
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033083
Npass
NPC168085
Tcmid
12750
Tcmsp
MOL005012
Sym Map
SMIT06836
Pub Chem
636883
Tcmbank
TCMBANKIN044408
Etcm Ingredient
Licoagroisoflavone
Itcmdb Generated
ITX-INGREDIENT-8F392EEA8137
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H16O5/c1-10(2)15-7-13-16(25-15)8-17-18(19(13)22)20(23)14(9-24-17)11-3-5-12(21)6-4-11/h3-6,8-9,15,21-22H,1,7H2,2H3/t15-/m1/s1
Mol Wt
336.343
Mol Log P
3.750800000000002
Version
v1,v2
In Ch Ikey
CQXOSSCKEFRIBR-OAHLLOKOSA-N
Ob Score
57.28257.2822409857.282241
Suppress
0
Tcm Name
刺果甘草
Tcm Name2
CI GUO GAN CAO
Mol2 Path
/TCM_database/2007_3d_all/12756.mol2
Reference
2431, 5200
Num Hdonors
2
Tcm Name En
Pricklyfruit Licorice
Drug Likeness
0.697
Num Hacceptors
5
Isomeric Smiles
CC(=C)[C@H]1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O
Molecule Weight
336.36
Canonical Smiles
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC=C(C=C4)O
Herb Alias Names
CHEBI:70035(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one(2R)-4-hydroxy-6-(4-hydroxyphenyl)-2-prop-1-en-2-yl-2,3-dihydrofuro(3,2-g)chromen-5-oneCHEMBL1689288Q27138375382137-37-3
Molecular Weight
336.100
Molecular Weight
336.3 g/mol
Molecular Formula
C20H16O5
Molecular Formula
C20H16O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.513
Quantitative Estimate Of Drug Likeness（Qed）
0.697