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
- 8983
- Core Entity Id
- 13151
- Source Entity Count
- 1
- Preferred Name
- 8-prenylluteone
- Name En
- Pubchem Id
- 471687
- Smiles Canonical
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)CC=C(C)C)O)C
- Molecular Formula
- C25H26O6
- Molecular Weight
- 422.4770
- Inchikey
- VYELCIXMHUBNAL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H26O6/c1-13(2)5-8-17-22(28)18(9-6-14(3)4)25-21(23(17)29)24(30)19(12-31-25)16-10-7-15(26)11-20(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)CC=C(C)C)O)C
- Cas Id
- 125002-91-7
- Ob Score
- Mol Logp
- 5.2998
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Prenylluteone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-prenylluteone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-prenylluteone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
豆科
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Erythrina eriotriocha (Fabaceae)
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
125002-91-7
Role
alias
Source
HERB_v2
Preferred
No
Name
125002-91-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,2',4'-Tetrahydroxy-6,8-diprenylisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,2',4'-Tetrahydroxy-6,8-diprenylisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948908
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948908
Role
alias
Source
HERB_v2
Preferred
No
Name
Eriotrichin B
Role
alias
Source
HERB_v2
Preferred
No
Name
Eriotrichin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9432
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9432
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2786
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N2786
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12050304
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12050304
Role
alias
Source
itcmdb_public
Preferred
No
Name
starbld0000829
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0000829
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
豆科Erythrina eriotriocha (Fabaceae)125002-91-73-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one5,7,2',4'-Tetrahydroxy-6,8-diprenylisoflavoneAKOS032948908Eriotrichin BFS-9432HY-N2786LMPK12050304starbld0000829
Cross References
Trusted external identifiers retained for this final record.
Cas
125002-91-7
Herb
HBIN013886
Npass
NPC141795
Tcmid
17823
Tcm Id
7329
Pub Chem
471687
Tcmbank
TCMBANKIN043502
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H26O6/c1-13(2)5-8-17-22(28)18(9-6-14(3)4)25-21(23(17)29)24(30)19(12-31-25)16-10-7-15(26)11-20(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
Mol Wt
422.4770000000001
Cas Id
125002-91-7
Mol Log P
5.299800000000007
In Ch Ikey
VYELCIXMHUBNAL-UHFFFAOYSA-N
Tcm Name
豆科
Tcm Name2
Erythrina eriotriocha (Fabaceae)
Mol2 Path
/TCM_database/2007_3d_all/17837.mol2
Reference
1521, 4421
Num Hdonors
4
Drug Likeness
0.415
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)CC=C(C)C)O)C
Canonical Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)CC=C(C)C)O)C
Herb Alias Names
125002-91-73-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one5,7,2',4'-Tetrahydroxy-6,8-diprenylisoflavoneEriotrichin Bstarbld0000829HY-N2786LMPK12050304AKOS032948908FS-9432
Molecular Weight
422.47
Molecular Formula
C25H26O6
Num Rotatable Bonds
5