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
- 10999
- Core Entity Id
- 15390
- Source Entity Count
- 1
- Preferred Name
- Anticancer flavonoid pmv70p691-103
- Name En
- Pubchem Id
- 5378234
- Smiles Canonical
- COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=CC=C3)O)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.2660
- Inchikey
- NAENHANDGVDMPA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-15-10(18)7-9(17)11-12(19)13(20)14(22-16(11)15)8-5-3-2-4-6-8/h2-7,17-18,20H,1H3
- Isomeric Smiles
- COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=CC=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5854
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anticancer Flavonoid PMV70P691-103
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Anticancer Flavonoid PMV70P691-103
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anticancer flavonoid pmv70p691-103
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anticancer flavonoid pmv70p691-103
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
(4H)1-Benzopyran-4-one, 3,5,7-trihydroxy-8-methoxy-2-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-Trihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one #
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-Trihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one #
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-8-methoxy-2-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Methoxygalangin
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Methoxygalangin
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762719
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762719
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12113091
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12113091
Role
alias
Source
itcmdb_public
Preferred
No
Name
NAENHANDGVDMPA-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
NAENHANDGVDMPA-UHFFFAOYSA-N
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*(4H)1-Benzopyran-4-one, 3,5,7-trihydroxy-8-methoxy-2-phenyl-3,5,7-Trihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one #4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-8-methoxy-2-phenyl-8-MethoxygalanginAKOS040762719LMPK12113091NAENHANDGVDMPA-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016332
Tcmid
1407
Pub Chem
5378234
Tcmbank
TCMBANKIN043063
Etcm Ingredient
Anticancer Flavonoid PMV70P691-103
Itcmdb Generated
ITX-INGREDIENT-B511D8DB6141
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O6/c1-21-15-10(18)7-9(17)11-12(19)13(20)14(22-16(11)15)8-5-3-2-4-6-8/h2-7,17-18,20H,1H3
Mol Wt
300.266
Mol Log P
2.585400000000002
In Ch Ikey
NAENHANDGVDMPA-UHFFFAOYSA-N
Tcm Name
牙买加樱桃
Tcm Name2
YA MAI JIA YING TAO
Mol2 Path
/TCM_database/2007_3d_all/01407.mol2
Reference
5038
Num Hdonors
3
Tcm Name En
Jamaica Cherry*
Drug Likeness
0.672
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=CC=C3)O)O
Canonical Smiles
COC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=CC=C3)O)O
Herb Alias Names
8-MethoxygalanginNAENHANDGVDMPA-UHFFFAOYSA-N4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-8-methoxy-2-phenyl-LMPK12113091AKOS0407627193,5,7-Trihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one #(4H)1-Benzopyran-4-one, 3,5,7-trihydroxy-8-methoxy-2-phenyl-
Molecular Weight
300.100
Molecular Formula
C17H16O5
Molecular Formula
C16H12O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.625
Quantitative Estimate Of Drug Likeness（Qed）
0.742