Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19247
- Core Entity Id
- 24573
- Source Entity Count
- 1
- Preferred Name
- Flavokawin b
- Name En
- Pubchem Id
- 5356121
- Smiles Canonical
- COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O
- Molecular Formula
- C17H16O4
- Molecular Weight
- 284.3110
- Inchikey
- QKQLSQLKXBHUSO-CMDGGOBGSA-N
- Inchi
- InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+
- Isomeric Smiles
- COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3055
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flavokawin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Flavokawin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Flavokawin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1775-97-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
1775-97-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2'-Hydroxy-4',6'-dimethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'-Hydroxy-4',6'-dimethoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-, (2E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-, (2E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4',6'-Dimethoxy-2'-hydroxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4',6'-Dimethoxy-2'-hydroxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65899
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65899
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavokavain B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavokavain B
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavokavin B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavokavin B
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavokawain b
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavokawain b
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one1775-97-92'-Hydroxy-4',6'-dimethoxychalcone2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-, (2E)-4',6'-Dimethoxy-2'-hydroxychalconeCHEBI:65899Flavokavain BFlavokavin BFlavokawain b
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026549
Npass
NPC188646
Tcmid
35804
Pub Chem
5356121
Tcmbank
TCMBANKIN018051
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+
Mol Wt
284.311
Smiles
COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O
Mol Log P
3.305500000000003
In Ch Ikey
QKQLSQLKXBHUSO-CMDGGOBGSA-N
Num Hdonors
1
Drug Likeness
0.676
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2)O
Canonical Smiles
COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O
Herb Alias Names
Flavokawain b1775-97-9Flavokavain B(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-oneFlavokavin B4',6'-Dimethoxy-2'-hydroxychalcone2'-Hydroxy-4',6'-dimethoxychalcone2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-, (2E)-CHEBI:65899
Molecular Weight
284.31 g/mol
Molecular Formula
C17H16O4
Molecular Formula
C17H16O4
Num Rotatable Bonds
5