Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7958
- Core Entity Id
- 12020
- Source Entity Count
- 1
- Preferred Name
- 6-prenylnaringenin
- Name En
- Pubchem Id
- 155094
- Smiles Canonical
- CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C
- Molecular Formula
- C20H20O5
- Molecular Weight
- 340.3750
- Inchikey
- YHWNASRGLKJRJJ-KRWDZBQOSA-N
- Inchi
- InChI=1S/C20H20O5/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/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1
- Isomeric Smiles
- CC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0186
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Prenylnaringenin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Prenylnaringenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-Prenylnaringenin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-Prenylnaringenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-prenylnaringenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-prenylnaringenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
啤酒花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
PI JIU HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
European Hop Female-flower
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-6-Prenylnaringenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-6-Prenylnaringenin
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-4',5,7-Trihydroxy-6-prenylflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-4',5,7-Trihydroxy-6-prenylflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)chroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,4'-Trihydroxy-6-prenylflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,4'-Trihydroxy-6-prenylflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
68236-13-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
68236-13-5
Role
alias
Source
HERB_v2
Preferred
No
Name
7342WYG80Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
7342WYG80Y
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL145714
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL145714
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
啤酒花PI JIU HUAEuropean Hop Female-flower(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one(2S)-6-Prenylnaringenin(S)-4',5,7-Trihydroxy-6-prenylflavanone(S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)chroman-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-5,7,4'-Trihydroxy-6-prenylflavanone68236-13-57342WYG80YSCHEMBL145714
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012761
Npass
NPC231949
Tcmid
17825
Sym Map
SMIT21900
Pub Chem
155094
Tcmbank
TCMBANKIN050268
Etcm Ingredient
6-Prenylnaringenin
Itcmdb Generated
ITX-INGREDIENT-B1196A0A1953
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
In Ch I
InChI=1S/C20H20O5/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/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1
Mol Wt
340.3750000000001
Mol Log P
4.018600000000004
Version
v2
In Ch Ikey
YHWNASRGLKJRJJ-KRWDZBQOSA-N
Suppress
0
Tcm Name
啤酒花
Tcm Name2
PI JIU HUA
Mol2 Path
/TCM_database/2007_3d_all/17839.mol2
Reference
4789
Num Hdonors
3
Tcm Name En
European Hop Female-flower
Drug Likeness
0.735
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C2=C(C=C1O)O[C@@H](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
68236-13-5(2S)-6-Prenylnaringenin(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one7342WYG80Y4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-(S)-4',5,7-Trihydroxy-6-prenylflavanone(S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)chroman-4-one5,7,4'-Trihydroxy-6-prenylflavanoneSCHEMBL145714
Molecular Weight
340.130
Molecular Weight
340.4 g/mol
Molecule Formula
C20H20O5
Molecular Formula
C20H20O5
Molecular Formula
C20H20O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.339
Quantitative Estimate Of Drug Likeness（Qed）
0.735