Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 11Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16663
- Core Entity Id
- 21692
- Source Entity Count
- 1
- Preferred Name
- Denbinobin
- Name En
- Pubchem Id
- 10423984
- Smiles Canonical
- COC1=CC(=C2C(=C1)C=CC3=C2C(=O)C(=CC3=O)OC)O
- Molecular Formula
- C16H12O5
- Molecular Weight
- 284.2670
- Inchikey
- KYOONHCJRPIMJE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O5/c1-20-9-5-8-3-4-10-11(17)7-13(21-2)16(19)15(10)14(8)12(18)6-9/h3-7,18H,1-2H3
- Isomeric Smiles
- COC1=CC(=C2C(=C1)C=CC3=C2C(=O)C(=CC3=O)OC)O
- Cas Id
- 82526-36-1
- Ob Score
- Mol Logp
- 2.4633
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.9170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Denbinobin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Denbinobin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Denbinobin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
denbinobin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxy-3,7-dimethoxy-1,4-phenanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-3,7-dimethoxy-1,4-phenanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-3,7-dimethoxyphenanthrene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-3,7-dimethoxyphenanthrene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
82526-36-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
82526-36-1
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL400925
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL400925
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID001318428
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID001318428
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1010300
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1010300
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-hydroxy-3,7-dimethoxy-1,4-phenanthraquinone5-hydroxy-3,7-dimethoxyphenanthrene-1,4-dione82526-36-1CHEMBL400925DTXSID001318428SCHEMBL1010300
Cross References
Trusted external identifiers retained for this final record.
Cas
82526-36-1
Herb
HBIN023271
Npass
NPC80370
Tcmid
1003423033
Sym Map
SMIT23466
Tcm Id
5042
Pub Chem
10423984
Tcmbank
TCMBANKIN012355TCMBANKIN061716
Itcmdb Generated
ITX-INGREDIENT-88C85D71629D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H12O5/c1-20-9-5-8-3-4-10-11(17)7-13(21-2)16(19)15(10)14(8)12(18)6-9/h3-7,18H,1-2H3
Mol Wt
284.267
Cas Id
82526-36-1
Smiles
COC1=CC(=C2C(=C1)C=CC3=C2C(=O)C(=CC3=O)OC)O
Mol Log P
2.463300000000001
Version
v2
In Ch Ikey
KYOONHCJRPIMJE-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.917
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=C2C(=C1)C=CC3=C2C(=O)C(=CC3=O)OC)O
Canonical Smiles
COC1=CC(=C2C(=C1)C=CC3=C2C(=O)C(=CC3=O)OC)O
Herb Alias Names
82526-36-15-hydroxy-3,7-dimethoxyphenanthrene-1,4-dione5-hydroxy-3,7-dimethoxy-1,4-phenanthraquinoneCHEMBL400925SCHEMBL1010300DTXSID001318428
Molecular Weight
284.26
Molecular Formula
C16H12O5
Molecular Formula
C16H12O5
Num Rotatable Bonds
2