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
- 16681
- Core Entity Id
- 21712
- Source Entity Count
- 1
- Preferred Name
- Dendroflorin
- Name En
- Pubchem Id
- 44418788
- Smiles Canonical
- COC1=CC(=CC2=C1C3=C(C=CC(=C3C2=O)O)O)O
- Molecular Formula
- C14H10O5
- Molecular Weight
- 258.2290
- Inchikey
- QYZVZXXDXPZMHM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O5/c1-19-10-5-6(15)4-7-11(10)12-8(16)2-3-9(17)13(12)14(7)18/h2-5,15-17H,1H3
- Isomeric Smiles
- COC1=CC(=CC2=C1C3=C(C=CC(=C3C2=O)O)O)O
- Cas Id
- 97915-34-9
- Ob Score
- Mol Logp
- 2.0234
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dendroflorin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dendroflorin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dendroflorin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4,7-TRIHYDROXY-5-METHOXYFLUOREN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4,7-TRIHYDROXY-5-METHOXYFLUOREN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4,7-trihydroxy-5-methoxy-9H-fluoren-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4,7-trihydroxy-5-methoxy-9H-fluoren-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
365545-85-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
365545-85-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL216941
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL216941
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID40609576
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID40609576
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40658827
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40658827
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4,7-TRIHYDROXY-5-METHOXYFLUOREN-9-ONE1,4,7-trihydroxy-5-methoxy-9H-fluoren-9-one365545-85-3CHEMBL216941DTXCID40609576DTXSID40658827
Cross References
Trusted external identifiers retained for this final record.
Cas
97915-34-9
Herb
HBIN023290
Npass
NPC216624
Tcmid
5132
Tcm Id
5032
Pub Chem
44418788
Tcmbank
TCMBANKIN001622
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H10O5/c1-19-10-5-6(15)4-7-11(10)12-8(16)2-3-9(17)13(12)14(7)18/h2-5,15-17H,1H3
Mol Wt
258.229
Cas Id
97915-34-9
Smiles
COC1=CC(=CC2=C1C3=C(C=CC(=C3C2=O)O)O)O
Mol Log P
2.023400000000002
In Ch Ikey
QYZVZXXDXPZMHM-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.581
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=CC2=C1C3=C(C=CC(=C3C2=O)O)O)O
Canonical Smiles
COC1=CC(=CC2=C1C3=C(C=CC(=C3C2=O)O)O)O
Herb Alias Names
365545-85-3DTXSID406588271,4,7-trihydroxy-5-methoxy-9H-fluoren-9-one1,4,7-TRIHYDROXY-5-METHOXYFLUOREN-9-ONECHEMBL216941DTXCID40609576
Molecular Weight
258.23
Molecular Formula
C14H10O5
Molecular Formula
C14H10O5
Num Rotatable Bonds
1