Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7403
- Core Entity Id
- 11411
- Source Entity Count
- 1
- Preferred Name
- Senegalensin
- Name En
- Pubchem Id
- 124035
- Smiles Canonical
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C
- Molecular Formula
- C25H28O5
- Molecular Weight
- 408.4940
- Inchikey
- HCNLDGTUMBOHKT-NRFANRHFSA-N
- Inchi
- InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1
- Isomeric Smiles
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C
- Cas Id
- 139051-61-9
- Ob Score
- Mol Logp
- 5.5273
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,8-Diprenylnaringenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,8-Diprenylnaringenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6,8-diprenylnaringenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,8-diprenylnaringenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Senegalensin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Senegalensin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
senegalensin
Role
preferred
Source
TCMBank
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)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,4'-Dihydroxy-8-(gamma,gamma-dimethylallyl)-(5''-(hydroxyisopropyl)dihydrofurano(2'',3''-6.7))isoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,4'-Dihydroxy-8-(gamma,gamma-dimethylallyl)-(5''-(hydroxyisopropyl)dihydrofurano(2'',3''-6.7))isoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,8-Diprenylnaringenin
Role
alias
Source
HERB_v2
Preferred
No
Name
6,8-Diprenylnaringenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
68236-11-3
Role
alias
Source
HERB_v2
Preferred
No
Name
68236-11-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2156
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2156
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20218408
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20218408
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lonchocarpol A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lonchocarpol A
Role
alias
Source
HERB_v2
Preferred
No
Name
Senegalensein
Role
alias
Source
itcmdb_public
Preferred
No
Name
Senegalensein
Role
alias
Source
HERB_v2
Preferred
No
Name
Senegalensin
Role
alias
Source
HERB_v2
Preferred
No
Name
Senegalensin
Role
alias
Source
itcmdb_public
Preferred
No
Name
lonchocarpol a
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
6,8-Diprenylnaringenin啤酒花PI JIU HUAEuropean Hop Female-flower(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-, (S)-5,4'-Dihydroxy-8-(gamma,gamma-dimethylallyl)-(5''-(hydroxyisopropyl)dihydrofurano(2'',3''-6.7))isoflavone68236-11-3CHEBI:2156DTXSID20218408Lonchocarpol ASenegalensein
Cross References
Trusted external identifiers retained for this final record.
Cas
139051-61-9
Herb
HBIN012126HBIN043703HBIN033488
Npass
NPC265040
Tcmid
6496
Tcm Id
103122954
Pub Chem
124035
Tcmbank
TCMBANKIN010327TCMBANKIN038478TCMBANKIN058768
Etcm Ingredient
6,8-Diprenylnaringenin
Itcmdb Generated
ITX-INGREDIENT-8EE26B240E9EITX-INGREDIENT-B361BA3CB10A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1
Mol Wt
408.4940000000001
Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C
Mol Log P
5.527300000000006
In Ch Ikey
HCNLDGTUMBOHKT-NRFANRHFSA-N
Tcm Name
啤酒花
Tcm Name2
PI JIU HUA
Mol2 Path
/TCM_database/2007_3d_all/06497.mol2
Reference
4789, 5038
Num Hdonors
3
Tcm Name En
European Hop Female-flower
Drug Likeness
0.567
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C
Canonical Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)CC=C(C)C)O)C
Herb Alias Names
SenegalensinLonchocarpol A68236-11-3SenegalenseinCHEBI:2156DTXSID202184084H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-, (S)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one5,4'-Dihydroxy-8-(gamma,gamma-dimethylallyl)-(5''-(hydroxyisopropyl)dihydrofurano(2'',3''-6.7))isoflavone
Molecular Weight
408.190
Molecular Weight
422.47
Molecular Formula
C25H28O5
Molecular Formula
C25H26O6
Molecular Formula
C25H28O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.084
Quantitative Estimate Of Drug Likeness（Qed）
0.567