Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5425
- Core Entity Id
- 9220
- Source Entity Count
- 1
- Preferred Name
- 3'-(gamma,gamma-dimethylallyl)-kievitone
- Name En
- Pubchem Id
- 480785
- Smiles Canonical
- CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)C
- Molecular Formula
- C25H28O6
- Molecular Weight
- 424.4930
- Inchikey
- FSHPJPOJLGCQOJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)C
- Cas Id
- Ob Score
- 1.2120
- Mol Logp
- 4.8853
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3'-(gamma,gamma-dimethylallyl)-kievitone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3'-(gamma,gamma-dimethylallyl)-kievitone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
141846-47-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
141846-47-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',8-diprenyldalbergioidin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',8-diprenyldalbergioidin
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Dimethylallylkievitone
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Dimethylallylkievitone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,2',4'-tetrahydroxy-8,3'-di(gamma,gamma-dimethylallyl)-isoflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,2',4'-tetrahydroxy-8,3'-di(gamma,gamma-dimethylallyl)-isoflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000697576
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000697576
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000470927
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000470927
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
141846-47-12',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone3',8-diprenyldalbergioidin3'-Dimethylallylkievitone3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chroman-4-one5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone5,7,2',4'-tetrahydroxy-8,3'-di(gamma,gamma-dimethylallyl)-isoflavanoneMLS000697576SMR000470927
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009773
Tcmid
6306
Tcmsp
MOL004965
Sym Map
SMIT00880
Pub Chem
480785
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3
Mol Wt
424.4930000000002
Mol Log P
4.885300000000004
In Ch Ikey
FSHPJPOJLGCQOJ-UHFFFAOYSA-N
Ob Score
1.212
Num Hdonors
4
Drug Likeness
0.509
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)C
Canonical Smiles
CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)C
Herb Alias Names
3'-Dimethylallylkievitone3',8-diprenyldalbergioidinMLS000697576141846-47-1SMR0004709273-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chroman-4-one5,7,2',4'-tetrahydroxy-8,3'-di(gamma,gamma-dimethylallyl)-isoflavanone
Molecular Formula
C25H28O6
Num Rotatable Bonds
5