Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28749
- Core Entity Id
- 35142
- Source Entity Count
- 1
- Preferred Name
- Osthenone
- Name En
- Pubchem Id
- 13917410
- Smiles Canonical
- CC(=O)C=CC1=C(C=CC2=C1OC(=O)C=C2)OC
- Molecular Formula
- C14H12O4
- Molecular Weight
- 244.2460
- Inchikey
- FNFVAKUIMOKUQL-ZZXKWVIFSA-N
- Inchi
- InChI=1S/C14H12O4/c1-9(15)3-6-11-12(17-2)7-4-10-5-8-13(16)18-14(10)11/h3-8H,1-2H3/b6-3+
- Isomeric Smiles
- CC(=O)/C=C/C1=C(C=CC2=C1OC(=O)C=C2)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.4038
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Osthenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Osthenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
osthenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-7-Methoxy-8-(3-oxobut-1-en-1-yl)-2H-chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-7-Methoxy-8-(3-oxobut-1-en-1-yl)-2H-chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
112789-90-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
112789-90-9
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-8-[(E)-3-oxo-1-butenyl]-2H-1-benzopyran-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-8-[(E)-3-oxo-1-butenyl]-2H-1-benzopyran-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-8-[(E)-3-oxobut-1-enyl]chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-8-[(E)-3-oxobut-1-enyl]chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2H-chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2H-chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948248
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948248
Role
alias
Source
HERB_v2
Preferred
No
Name
F92858
Role
alias
Source
itcmdb_public
Preferred
No
Name
F92858
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-9394
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9394
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-osthenone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-7-Methoxy-8-(3-oxobut-1-en-1-yl)-2H-chromen-2-one112789-90-97-Methoxy-8-[(E)-3-oxo-1-butenyl]-2H-1-benzopyran-2-one7-Methoxy-8-[(E)-3-oxobut-1-enyl]chromen-2-one7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2H-chromen-2-oneAKOS032948248F92858FS-9394trans-osthenone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038385HBIN046797
Npass
NPC272753
Tcmid
16249
Tcm Id
24930
Pub Chem
13917410
Tcmbank
TCMBANKIN058916
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H12O4/c1-9(15)3-6-11-12(17-2)7-4-10-5-8-13(16)18-14(10)11/h3-8H,1-2H3/b6-3+
Mol Wt
244.246
Smiles
CC(=O)C=CC1=C(C=CC2=C1OC(=O)C=C2)OC
Mol Log P
2.4038
In Ch Ikey
FNFVAKUIMOKUQL-ZZXKWVIFSA-N
Num Hdonors
0
Drug Likeness
0.614
Num Hacceptors
4
Isomeric Smiles
CC(=O)/C=C/C1=C(C=CC2=C1OC(=O)C=C2)OC
Canonical Smiles
CC(=O)C=CC1=C(C=CC2=C1OC(=O)C=C2)OC
Herb Alias Names
112789-90-97-Methoxy-8-[(E)-3-oxo-1-butenyl]-2H-1-benzopyran-2-one7-Methoxy-8-[(E)-3-oxobut-1-enyl]chromen-2-oneAKOS032948248FS-9394F92858(E)-7-Methoxy-8-(3-oxobut-1-en-1-yl)-2H-chromen-2-one7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2H-chromen-2-one
Molecular Weight
244.24 g/mol
Molecular Formula
C14H12O4
Molecular Formula
C14H12O4
Num Rotatable Bonds
3