Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 14Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 342
- Core Entity Id
- 3236
- Source Entity Count
- 1
- Preferred Name
- 2,3,4,7-tetramethoxyphenanthrene
- Name En
- Pubchem Id
- 11437978
- Smiles Canonical
- COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C=C2)OC)OC)OC
- Molecular Formula
- C18H18O4
- Molecular Weight
- 298.3380
- Inchikey
- SZWNNHPMXYWRRE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H18O4/c1-19-13-7-8-14-11(9-13)5-6-12-10-15(20-2)17(21-3)18(22-4)16(12)14/h5-10H,1-4H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C=C2)OC)OC)OC
- Cas Id
- Ob Score
- 39.0868
- Mol Logp
- 4.0274
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3,4,7-Tetramethoxyphenanthrene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,3,4,7-Tetramethoxyphenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,3,4,7-tetramethoxyphenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3,4,7-tetramethoxyphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,3,4,7-tetramethoxyphenanthrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3,4,7-tetramethoxyphenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3,4,7-Tetramethoxy-phenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,4,7-Tetramethoxy-phenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
97399-69-4
Role
alias
Source
HERB_v2
Preferred
No
Name
97399-69-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS015906019
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS015906019
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL73252
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL73252
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID80416746
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID80416746
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90465927
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90465927
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1976736
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1976736
Role
alias
Source
itcmdb_public
Preferred
No
Name
SZWNNHPMXYWRRE-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SZWNNHPMXYWRRE-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3,4,7-Tetramethoxy-phenanthrene97399-69-4AKOS015906019CHEMBL73252DTXCID80416746DTXSID90465927SCHEMBL1976736SZWNNHPMXYWRRE-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003862
Npass
NPC149337
Tcmsp
MOL005756
Sym Map
SMIT07468
Pub Chem
11437978
Tcmbank
TCMBANKIN025034
Etcm Ingredient
2,3,4,7-tetramethoxyphenanthrene
Itcmdb Generated
ITX-INGREDIENT-8A70324332F4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H18O4/c1-19-13-7-8-14-11(9-13)5-6-12-10-15(20-2)17(21-3)18(22-4)16(12)14/h5-10H,1-4H3
Mol Wt
298.338
Smiles
COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C=C2)OC)OC)OC
Mol Log P
4.027400000000003
Version
v1,v2
In Ch Ikey
SZWNNHPMXYWRRE-UHFFFAOYSA-N
Ob Score
39.0867895139.0867939.087
Suppress
0
Num Hdonors
0
Drug Likeness
0.682
Num Hacceptors
4
Isomeric Smiles
COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C=C2)OC)OC)OC
Molecule Weight
298.36
Canonical Smiles
COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C=C2)OC)OC)OC
Herb Alias Names
97399-69-4DTXSID904659272,3,4,7-Tetramethoxy-phenanthreneCHEMBL73252SCHEMBL19767362347-Tetramethoxy-phenanthreneDTXCID80416746SZWNNHPMXYWRRE-UHFFFAOYSA-NAKOS015906019
Molecular Weight
298.120
Molecular Weight
298.3 g/mol
Molecular Formula
C18H18O4
Molecular Formula
C18H18O4
Molecular Formula
C18H18O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.265
Quantitative Estimate Of Drug Likeness（Qed）
0.682