Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16042
- Core Entity Id
- 20999
- Source Entity Count
- 1
- Preferred Name
- Cypritibetquinone a
- Name En
- Pubchem Id
- 637413
- Smiles Canonical
- COC1=CC(=O)C2=C(C1=O)C=CC3=C2C=CC(=C3)O
- Molecular Formula
- C15H10O4
- Molecular Weight
- 254.2410
- Inchikey
- FVUZCFUZMSCPCK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H3
- Isomeric Smiles
- COC1=CC(=O)C2=C(C1=O)C=CC3=C2C=CC(=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4547
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cypritibetquinone A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cypritibetquinone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cypritibetquinone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
密花石斛
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MI HUA SHI HU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Denseflower Dendrobium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,4-phenanthrenedione, 7-hydroxy-2-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-phenanthrenedione, 7-hydroxy-2-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-methoxy-1,4-phenanthrenedione
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-methoxy-1,4-phenanthrenedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-2-methoxyphenanthrene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-2-methoxyphenanthrene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL582103
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL582103
Role
alias
Source
itcmdb_public
Preferred
No
Name
Densiflorol B
Role
alias
Source
HERB_v2
Preferred
No
Name
Densiflorol B
Role
alias
Source
itcmdb_public
Preferred
No
Name
GNF-Pf-2961
Role
alias
Source
itcmdb_public
Preferred
No
Name
GNF-Pf-2961
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
密花石斛MI HUA SHI HUDenseflower Dendrobium1,4-phenanthrenedione, 7-hydroxy-2-methoxy-7-Hydroxy-2-methoxy-1,4-phenanthrenedione7-hydroxy-2-methoxyphenanthrene-1,4-dioneCHEMBL582103Densiflorol BGNF-Pf-2961InChI=1/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022504
Npass
NPC27659
Tcmid
4584
Pub Chem
637413
Tcmbank
TCMBANKIN041861
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H3
Mol Wt
254.241
Mol Log P
2.4547
In Ch Ikey
FVUZCFUZMSCPCK-UHFFFAOYSA-N
Tcm Name
密花石斛
Tcm Name2
MI HUA SHI HU
Mol2 Path
/TCM_database/2007_3d_all/04585.mol2
Reference
4863, 5171
Num Hdonors
1
Tcm Name En
Denseflower Dendrobium
Drug Likeness
0.849
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=O)C2=C(C1=O)C=CC3=C2C=CC(=C3)O
Canonical Smiles
COC1=CC(=O)C2=C(C1=O)C=CC3=C2C=CC(=C3)O
Herb Alias Names
Densiflorol B7-hydroxy-2-methoxyphenanthrene-1,4-dioneGNF-Pf-29617-Hydroxy-2-methoxy-1,4-phenanthrenedioneCHEMBL5821037-Hydroxy-2-methoxy-phenanthrene-1,4-dione1,4-phenanthrenedione, 7-hydroxy-2-methoxy-InChI=1/C15H10O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h2-7,16H,1H
Molecular Formula
C15H10O4
Num Rotatable Bonds
1