Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 663
- Core Entity Id
- 3930
- Source Entity Count
- 1
- Preferred Name
- 2,4,5,6-tetrahydroxyphenanthrene
- Name En
- Pubchem Id
- 129206075
- Smiles Canonical
- C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O
- Molecular Formula
- C14H10O4
- Molecular Weight
- 242.2300
- Inchikey
- JSLUYTKYLIDAEB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H
- Isomeric Smiles
- C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O
- Cas Id
- Ob Score
- 18.1520
- Mol Logp
- 2.8154
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4,5,6-Tetrahydroxyphenanthrene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,4,5,6-Tetrahydroxyphenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,4,5,6-tetrahydroxyphenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4,5,6-tetrahydroxyphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4,5,6-tetrahydroxyphenanthrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,4,5,6-tetrahydroxyphenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,5,6-phenanthrenetetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,5,6-phenanthrenetetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
68570-34-3
Role
alias
Source
HERB_v2
Preferred
No
Name
68570-34-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174250
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174250
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID401311474
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401311474
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL18940921
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL18940921
Role
alias
Source
itcmdb_public
Preferred
No
Name
phenanthrene-2,4,5,6-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
phenanthrene-2,4,5,6-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,4,5,6-phenanthrenetetrol68570-34-3CHEBI:174250DTXSID401311474SCHEMBL18940921phenanthrene-2,4,5,6-tetrol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004222
Tcmsp
MOL009768
Sym Map
SMIT10852
Pub Chem
129206075
Tcmbank
TCMBANKIN019513
Etcm Ingredient
2,4,5,6-tetrahydroxyphenanthrene
Itcmdb Generated
ITX-INGREDIENT-A1D20728D5BC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H
Mol Wt
242.23
Smiles
C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O
Mol Log P
2.815400000000002
Version
v1,v2
In Ch Ikey
JSLUYTKYLIDAEB-UHFFFAOYSA-N
Ob Score
18.15218.152230618.152231
Suppress
0
Num Hdonors
4
Drug Likeness
0.361
Num Hacceptors
4
Isomeric Smiles
C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O
Molecule Weight
242.24
Canonical Smiles
C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O
Herb Alias Names
2,4,5,6-phenanthrenetetrolphenanthrene-2,4,5,6-tetrolSCHEMBL18940921CHEBI:174250DTXSID40131147468570-34-3
Molecular Weight
242.060
Molecular Weight
242.23 g/mol
Molecular Formula
C14H10O4
Molecular Formula
C14H10O4
Molecular Formula
C14H10O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.692
Quantitative Estimate Of Drug Likeness（Qed）
0.361