Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7955
- Core Entity Id
- 12017
- Source Entity Count
- 1
- Preferred Name
- 6-prenylapigenin
- Name En
- Pubchem Id
- 10382485
- Smiles Canonical
- CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)C
- Molecular Formula
- C20H18O5
- Molecular Weight
- 338.3590
- Inchikey
- VJDRSTHNWHVTNQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9-10,21-22,24H,8H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)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
6-Prenylapigenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-prenylapigenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-prenylapigenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
豆科
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Erythrina vogelii (Fabaceae)
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
4',5,7-Trihydroxy-6-prenylflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4',5,7-Trihydroxy-6-prenylflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,4'-Trihydroxy-6-prenylflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,4'-Trihydroxy-6-prenylflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-C-Prenylapigenin
Role
alias
Source
HERB_v2
Preferred
No
Name
6-C-Prenylapigenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Prenyl-4',5,7-trihydroxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Prenyl-4',5,7-trihydroxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
68097-13-2
Role
alias
Source
HERB_v2
Preferred
No
Name
68097-13-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4643387
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4643387
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2732
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2732
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4834777
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4834777
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
豆科Erythrina vogelii (Fabaceae)4',5,7-Trihydroxy-6-prenylflavone5,7,4'-Trihydroxy-6-prenylflavone5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one6-C-Prenylapigenin6-Prenyl-4',5,7-trihydroxyflavone68097-13-2CHEMBL4643387HY-N2732SCHEMBL4834777
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012758
Npass
NPC284220
Tcmid
17809
Pub Chem
10382485
Tcmbank
TCMBANKIN040713
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9-10,21-22,24H,8H2,1-2H3
Mol Wt
338.359
Mol Log P
4.085500000000003
In Ch Ikey
VJDRSTHNWHVTNQ-UHFFFAOYSA-N
Tcm Name
豆科
Tcm Name2
Erythrina vogelii (Fabaceae)
Mol2 Path
/TCM_database/2007_3d_all/17823.mol2
Reference
1521, 4421
Num Hdonors
3
Drug Likeness
0.626
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)C
Canonical Smiles
CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)C
Herb Alias Names
68097-13-24',5,7-Trihydroxy-6-prenylflavone6-C-Prenylapigenin5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one5,7,4'-Trihydroxy-6-prenylflavone6-C-Prenylapigenin6-Prenyl-4',5,7-trihydroxyflavoneSCHEMBL4834777CHEMBL4643387HY-N2732
Molecular Weight
338.4 g/mol
Molecular Formula
C20H18O5
Num Rotatable Bonds
3