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
- 10994
- Core Entity Id
- 15385
- Source Entity Count
- 1
- Preferred Name
- Anticancer flavonoid pmv70p691-022
- Name En
- Pubchem Id
- 639682
- Smiles Canonical
- COC1=C(C2=C(C(=C1)O)C(=O)C(C(O2)C3=CC=CC=C3)O)O
- Molecular Formula
- C16H14O6
- Molecular Weight
- 302.2820
- Inchikey
- FKUVVMRZLSYJPP-LSDHHAIUSA-N
- Inchi
- InChI=1S/C16H14O6/c1-21-10-7-9(17)11-13(19)14(20)15(22-16(11)12(10)18)8-5-3-2-4-6-8/h2-7,14-15,17-18,20H,1H3/t14-,15+/m0/s1
- Isomeric Smiles
- COC1=C(C2=C(C(=C1)O)C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7837
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anticancer Flavonoid PMV70P691-022
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anticancer Flavonoid PMV70P691-022
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Anticancer flavonoid pmv70p691-022
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anticancer flavonoid pmv70p691-022
Role
preferred
Source
itcmdb_public
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
(2R,3R)-7-Methoxy-3,5,8-trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-7-Methoxy-3,5,8-trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
牙买加樱桃YA MAI JIA YING TAOJamaica Cherry*(2R,3R)-7-Methoxy-3,5,8-trihydroxyflavanone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016326
Tcmid
1401
Pub Chem
639682
Tcmbank
TCMBANKIN044185
Etcm Ingredient
Anticancer Flavonoid PMV70P691-022
Itcmdb Generated
ITX-INGREDIENT-A3B37A314A4D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O6/c1-21-10-7-9(17)11-13(19)14(20)15(22-16(11)12(10)18)8-5-3-2-4-6-8/h2-7,14-15,17-18,20H,1H3/t14-,15+/m0/s1
Mol Wt
302.282
Mol Log P
1.7837
In Ch Ikey
FKUVVMRZLSYJPP-LSDHHAIUSA-N
Tcm Name
牙买加樱桃
Tcm Name2
YA MAI JIA YING TAO
Mol2 Path
/TCM_database/2007_3d_all/01401.mol2
Reference
5038
Num Hdonors
3
Tcm Name En
Jamaica Cherry*
Drug Likeness
0.732
Num Hacceptors
6
Isomeric Smiles
COC1=C(C2=C(C(=C1)O)C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)O)O
Canonical Smiles
COC1=C(C2=C(C(=C1)O)C(=O)C(C(O2)C3=CC=CC=C3)O)O
Herb Alias Names
(2R,3R)-7-Methoxy-3,5,8-trihydroxyflavanone
Molecular Weight
300.100
Molecular Formula
C17H16O5
Molecular Formula
C16H14O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.062
Quantitative Estimate Of Drug Likeness（Qed）
0.741