Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11008
- Core Entity Id
- 15400
- Source Entity Count
- 1
- Preferred Name
- Anticancer flavonoid pmv70p691-94
- Name En
- Pubchem Id
- 5376891
- Smiles Canonical
- C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
- Molecular Formula
- C15H10O3
- Molecular Weight
- 238.2420
- Inchikey
- WMKOZARWBMFKAS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H
- Isomeric Smiles
- C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1656
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anticancer Flavonoid PMV70P691-94
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Anticancer Flavonoid PMV70P691-94
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anticancer flavonoid pmv70p691-94
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anticancer flavonoid pmv70p691-94
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
牙买加樱桃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YA MAI JIA YING TAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Jamaica Cherry*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13057-72-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
13057-72-2
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-3-phenyl-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-3-phenyl-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-3-phenyl-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-3-phenylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0193534
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0193534
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:12256
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:12256
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00017701
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00017701
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
牙买加樱桃YA MAI JIA YING TAOJamaica Cherry*13057-72-24H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-7-Hydroxy-3-phenyl-4H-chromen-4-one7-Hydroxy-3-phenyl-chromen-4-one7-Hydroxyisoflavone7-hydroxy-3-phenylchromen-4-oneBRN 0193534CHEBI:12256MFCD00017701
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016343
Tcmid
1419
Pub Chem
5376891
Tcmbank
TCMBANKIN050096
Etcm Ingredient
Anticancer Flavonoid PMV70P691-94
Itcmdb Generated
ITX-INGREDIENT-EF28729006CC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H
Mol Wt
238.242
Mol Log P
3.165600000000002
In Ch Ikey
WMKOZARWBMFKAS-UHFFFAOYSA-N
Tcm Name
牙买加樱桃
Tcm Name2
YA MAI JIA YING TAO
Mol2 Path
/TCM_database/2007_3d_all/01419.mol2
Reference
5038
Num Hdonors
1
Tcm Name En
Jamaica Cherry*
Drug Likeness
0.708
Num Hacceptors
3
Isomeric Smiles
C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
Canonical Smiles
C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
Herb Alias Names
7-Hydroxyisoflavone13057-72-27-Hydroxy-3-phenyl-4H-chromen-4-one7-hydroxy-3-phenylchromen-4-one7-Hydroxy-3-phenyl-chromen-4-one4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-7-Hydroxy IsoflavoneMFCD00017701BRN 0193534CHEBI:12256
Molecular Weight
238.060
Molecular Formula
C15H10O3
Molecular Formula
C15H10O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.132
Quantitative Estimate Of Drug Likeness（Qed）
0.708