Relationship Network
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 697
- Core Entity Id
- 3968
- Source Entity Count
- 1
- Preferred Name
- 2,4,7-trihydroxy-5-methoxy-9-fluorenone
- Name En
- Pubchem Id
- 71441453
- Smiles Canonical
- COC1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3O)O)O
- Molecular Formula
- C14H10O5
- Molecular Weight
- 258.2290
- Inchikey
- DILPYVBUOBXTTA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O5/c1-19-11-5-7(16)3-9-13(11)12-8(14(9)18)2-6(15)4-10(12)17/h2-5,15-17H,1H3
- Isomeric Smiles
- COC1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0234
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2, 4, 7-trihydroxy-5-methoxy-9-fluorenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,7-trihydroxy-5-methoxy-9-fluorenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4,7-trihydroxy-5-methoxy-9-fluorenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4,7-TRIHYDROXY-5-METHOXY-9H-FLUOREN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,7-TRIHYDROXY-5-METHOXY-9H-FLUOREN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
560096-22-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
560096-22-2
Role
alias
Source
HERB_v2
Preferred
No
Name
9H-Fluoren-9-one, 2,4,7-trihydroxy-5-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Fluoren-9-one, 2,4,7-trihydroxy-5-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2333783
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2333783
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60850386
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60850386
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dechrysan A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
dechrysan A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,7- Trihydroxy-5-Methyl fluorenone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2, 4, 7-trihydroxy-5-methoxy-9-fluorenone2,4,7-TRIHYDROXY-5-METHOXY-9H-FLUOREN-9-ONE560096-22-29H-Fluoren-9-one, 2,4,7-trihydroxy-5-methoxy-CHEMBL2333783DTXSID60850386Dechrysan A2,4,7- Trihydroxy-5-Methyl fluorenone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004264HBIN004265HBIN022918
Npass
NPC18714
Tcmid
386724255342587
Sym Map
SMIT23326
Pub Chem
71441453
Tcmbank
TCMBANKIN008411TCMBANKIN061687
Itcmdb Generated
ITX-INGREDIENT-1D00AD3AF547
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H10O5/c1-19-11-5-7(16)3-9-13(11)12-8(14(9)18)2-6(15)4-10(12)17/h2-5,15-17H,1H3
Mol Wt
258.229
Smiles
COC1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3O)O)O
Mol Log P
2.023400000000002
Version
v2
In Ch Ikey
DILPYVBUOBXTTA-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.621
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3O)O)O
Canonical Smiles
COC1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3O)O)O
Herb Alias Names
560096-22-29H-Fluoren-9-one, 2,4,7-trihydroxy-5-methoxy-2,4,7-TRIHYDROXY-5-METHOXY-9H-FLUOREN-9-ONECHEMBL2333783DTXSID60850386
Molecular Weight
258.23 g/mol
Molecular Formula
C14H10O5
Molecular Formula
C14H10O5
Num Rotatable Bonds
1