Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8365
- Core Entity Id
- 12468
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-2,3,4-trimethoxyphenanthrene
- Name En
- Pubchem Id
- 11997529
- Smiles Canonical
- COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3)O)OC)OC
- Molecular Formula
- C17H16O4
- Molecular Weight
- 284.3110
- Inchikey
- XOYDRISJWPIZCQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O4/c1-19-14-9-11-5-4-10-8-12(18)6-7-13(10)15(11)17(21-3)16(14)20-2/h4-9,18H,1-3H3
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3)O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.7244
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxy-2, 3, 4-Trimethoxyphenanthrene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Hydroxy-2, 3, 4-Trimethoxyphenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-hydroxy-2, 3, 4-trimethoxyphenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-2,3,4-trimethoxyphenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-hydroxy-2,3,4-trimethoxyphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
SCHEMBL5804555
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5804555
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-Hydroxy-2, 3, 4-TrimethoxyphenanthreneSCHEMBL5804555
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013206
Tcmid
41957
Sym Map
SMIT21963
Pub Chem
11997529
Tcmbank
TCMBANKIN031298
Itcmdb Generated
ITX-INGREDIENT-F7A9DFF8D9F5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H16O4/c1-19-14-9-11-5-4-10-8-12(18)6-7-13(10)15(11)17(21-3)16(14)20-2/h4-9,18H,1-3H3
Mol Wt
284.311
Smiles
COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3)O)OC)OC
Mol Log P
3.724400000000003
Version
v2
In Ch Ikey
XOYDRISJWPIZCQ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.745
Num Hacceptors
4
Isomeric Smiles
COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3)O)OC)OC
Canonical Smiles
COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3)O)OC)OC
Herb Alias Names
SCHEMBL5804555
Molecular Weight
284.31 g/mol
Molecular Formula
C17H16O4
Molecular Formula
C17H16O4
Num Rotatable Bonds
3