Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 2Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24536
- Core Entity Id
- 30461
- Source Entity Count
- 1
- Preferred Name
- Licoflavone
- Name En
- Pubchem Id
- 5319000
- Smiles Canonical
- CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)C
- Molecular Formula
- C20H18O4
- Molecular Weight
- 322.3600
- Inchikey
- HJGURBGBPIKRER-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H18O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-11,21-22H,4H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)C
- Cas Id
- 61153-77-3
- Ob Score
- 18.7520
- Mol Logp
- 4.3799
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Licoflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Licoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Licoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Licoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ZHANG GHO CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
3K78PYN58P
Role
alias
Source
HERB_v2
Preferred
No
Name
3K78PYN58P
Role
alias
Source
itcmdb_public
Preferred
No
Name
4',7-dihydroxy-6-prenylflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4',7-dihydroxy-6-prenylflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
61153-77-3
Role
alias
Source
HERB_v2
Preferred
No
Name
61153-77-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL506929
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL506929
Role
alias
Source
HERB_v2
Preferred
No
Name
LICOFLAVANONE A
Role
alias
Source
HERB_v2
Preferred
No
Name
LICOFLAVANONE A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Licoflavone A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Licoflavone A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
ZHANG GHO CAO3K78PYN58P4',7-dihydroxy-6-prenylflavone4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-61153-77-37-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-oneCHEMBL506929LICOFLAVANONE ALicoflavone A
Cross References
Trusted external identifiers retained for this final record.
Cas
61153-77-3
Herb
HBIN033101HBIN033102
Npass
NPC270883
Tcmid
1276831429
Tcmsp
MOL004851
Sym Map
SMIT06699SMIT19297
Pub Chem
5319000
Tcmbank
TCMBANKIN029248TCMBANKIN058813
Itcmdb Generated
ITX-INGREDIENT-DAC181E63074
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H18O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-11,21-22H,4H2,1-2H3
Mol Wt
322.36
Cas Id
61153-77-3
Smiles
CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)C
Mol Log P
4.379900000000004
Version
v1,v2
In Ch Ikey
HJGURBGBPIKRER-UHFFFAOYSA-N
Ob Score
18.75218.75210387
Suppress
1
Tcm Name2
ZHANG GHO CAO
Reference
2
Num Hdonors
2
Drug Likeness
0.702
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)C
Molecule Weight
322.38
Canonical Smiles
CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)C
Herb Alias Names
Licoflavone A61153-77-33K78PYN58PLICOFLAVANONE A7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-oneCHEMBL5069294H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one4',7-dihydroxy-6-prenylflavone
Molecular Weight
322.4 g/mol
Molecular Formula
C20H18O4
Molecular Formula
C20H18O4
Num Rotatable Bonds
3
Link Ingredient Id
6699.0