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
- 16043
- Core Entity Id
- 21000
- Source Entity Count
- 1
- Preferred Name
- Cypritibetquinone b
- Name En
- Pubchem Id
- 71422615
- Smiles Canonical
- COC1=CC(=O)C2=C3C=CC(=CC3=CC(=C2C1=O)OC)O
- Molecular Formula
- C16H12O5
- Molecular Weight
- 284.2670
- Inchikey
- UMYDYFQCGMGFKL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O5/c1-20-12-6-8-5-9(17)3-4-10(8)14-11(18)7-13(21-2)16(19)15(12)14/h3-7,17H,1-2H3
- Isomeric Smiles
- COC1=CC(=O)C2=C3C=CC(=CC3=CC(=C2C1=O)OC)O
- Cas Id
- 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
Cypritibetquinone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cypritibetquinone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cypritibetquinone b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-Hydroxy-2,10-dimethoxyphenanthrene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2,10-dimethoxyphenanthrene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
920973-44-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
920973-44-0
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20841634
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20841634
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-Hydroxy-2,10-dimethoxyphenanthrene-1,4-dione920973-44-0DTXSID20841634
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022505
Npass
NPC150034
Tcmid
4585
Pub Chem
71422615
Tcmbank
TCMBANKIN042558
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O5/c1-20-12-6-8-5-9(17)3-4-10(8)14-11(18)7-13(21-2)16(19)15(12)14/h3-7,17H,1-2H3
Mol Wt
284.267
Smiles
COC1=CC(=O)C2=C3C=CC(=CC3=CC(=C2C1=O)OC)O
Mol Log P
2.4633
In Ch Ikey
UMYDYFQCGMGFKL-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/04586.mol2
Reference
4863
Num Hdonors
1
Drug Likeness
0.917
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=O)C2=C3C=CC(=CC3=CC(=C2C1=O)OC)O
Canonical Smiles
COC1=CC(=O)C2=C3C=CC(=CC3=CC(=C2C1=O)OC)O
Herb Alias Names
7-Hydroxy-2,10-dimethoxyphenanthrene-1,4-dione920973-44-0DTXSID20841634
Molecular Formula
C16H12O5
Molecular Formula
C16H12O5
Num Rotatable Bonds
2