Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24537
- Core Entity Id
- 30462
- Source Entity Count
- 1
- Preferred Name
- Licoflavone c
- Name En
- Pubchem Id
- 10246505
- Smiles Canonical
- CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C
- Molecular Formula
- C20H18O5
- Molecular Weight
- 338.3590
- Inchikey
- MEHHCBRCXIDGKZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0855
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Licoflavone C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Licoflavone c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Licoflavone c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
胀果甘草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHANG GUO GAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Inflated Licorice
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
0DQ85982ZY
Role
alias
Source
HERB_v2
Preferred
No
Name
0DQ85982ZY
Role
alias
Source
itcmdb_public
Preferred
No
Name
4',5,7-Trihydroxy-8-prenylflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4',5,7-Trihydroxy-8-prenylflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,4'-Trihydroxy-8-prenylflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,4'-Trihydroxy-8-prenylflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
72357-31-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
72357-31-4
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Prenylapigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Prenylapigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL371562
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL371562
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90904164
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90904164
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0DQ85982ZY
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0DQ85982ZY
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
胀果甘草ZHANG GUO GAN CAOInflated Licorice0DQ85982ZY4',5,7-Trihydroxy-8-prenylflavone5,7,4'-Trihydroxy-8-prenylflavone5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one72357-31-48-PrenylapigeninCHEMBL371562DTXSID90904164UNII-0DQ85982ZY
Cross References
Trusted external identifiers retained for this final record.
Hit
C0836
Herb
HBIN033104
Npass
NPC220062
Tcmid
12770
Pub Chem
10246505
Tcmbank
TCMBANKIN044160
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
Mol Wt
338.359
Mol Log P
4.085500000000003
In Ch Ikey
MEHHCBRCXIDGKZ-UHFFFAOYSA-N
Tcm Name
胀果甘草
Tcm Name2
ZHANG GUO GAN CAO
Mol2 Path
/TCM_database/2007_3d_all/12776.mol2
Reference
2431
Num Hdonors
3
Tcm Name En
Inflated Licorice
Drug Likeness
0.626
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C
Canonical Smiles
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C
Herb Alias Names
72357-31-48-Prenylapigenin4',5,7-Trihydroxy-8-prenylflavoneUNII-0DQ85982ZY0DQ85982ZYCHEMBL371562DTXSID909041645,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one5,7,4'-Trihydroxy-8-prenylflavone
Molecular Weight
338.4 g/mol
Molecular Formula
C20H18O5
Num Rotatable Bonds
3