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
- 7664
- Core Entity Id
- 11699
- Source Entity Count
- 1
- Preferred Name
- 6-hydroxy-anthragallol-1,3-dimethylether
- Name En
- Pubchem Id
- 15118826
- Smiles Canonical
- COC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)OC)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.2660
- Inchikey
- ZOTYVTMFTQVAFY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-11-6-10-12(16(22-2)15(11)20)14(19)8-4-3-7(17)5-9(8)13(10)18/h3-6,17,20H,1-2H3
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8904
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Hydroxy-anthragallol-1,3-dimethylether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-Hydroxy-anthragallol-1,3-dimethylether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-hydroxy-anthragallol-1,3-dimethylether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-hydroxy-anthragallol-1,3-dimethylether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
海巴戟
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI BA JI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indianmulberry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海巴戟HAI BA JIIndianmulberry
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012418
Npass
NPC36817
Tcmid
9789
Pub Chem
15118826
Tcmbank
TCMBANKIN045131
Etcm Ingredient
6-Hydroxy-anthragallol-1,3-dimethylether
Itcmdb Generated
ITX-INGREDIENT-D6C6594EDD32
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O6/c1-21-11-6-10-12(16(22-2)15(11)20)14(19)8-4-3-7(17)5-9(8)13(10)18/h3-6,17,20H,1-2H3
Mol Wt
300.266
Mol Log P
1.8904
In Ch Ikey
ZOTYVTMFTQVAFY-UHFFFAOYSA-N
Tcm Name
海巴戟
Tcm Name2
HAI BA JI
Mol2 Path
/TCM_database/2007_3d_all/09790.mol2
Reference
4542
Num Hdonors
2
Tcm Name En
Indianmulberry
Drug Likeness
0.75
Num Hacceptors
6
Isomeric Smiles
COC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)OC)O
Canonical Smiles
COC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)OC)O
Molecular Weight
300.060
Molecular Formula
C16H12O6
Molecular Formula
C16H12O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.702
Quantitative Estimate Of Drug Likeness（Qed）
0.750