Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 699
- Core Entity Id
- 3970
- Source Entity Count
- 1
- Preferred Name
- 2,4,7-trimethoxy-9,10-dihydrophenanthrene
- Name En
- Pubchem Id
- 15693459
- Smiles Canonical
- COC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3OC)OC
- Molecular Formula
- C17H18O3
- Molecular Weight
- 270.3280
- Inchikey
- GKXBCRATDFSQOD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H18O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h6-10H,4-5H2,1-3H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3OC)OC
- Cas Id
- Ob Score
- 17.8780
- Mol Logp
- 3.4780
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4,7-Trimethoxy-9,10-Dihydrophenanthrene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,4,7-Trimethoxy-9,10-Dihydrophenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,4,7-Trimethoxy-9,10-dihydrophenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,7-trimethoxy-9,10-dihydrophenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4,7-trimethoxy-9,10-dihydrophenanthrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,4,7-trimethoxy-9,10-dihydrophenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
白芨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI JI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Bletilla
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
SCHEMBL1978237
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1978237
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
白芨BAI JICommon BletillaSCHEMBL1978237
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004267
Npass
NPC35340
Tcmid
21894
Tcmsp
MOL005757
Sym Map
SMIT07469
Pub Chem
15693459
Tcmbank
TCMBANKIN048933
Etcm Ingredient
2,4,7-trimethoxy-9,10-dihydrophenanthrene
Itcmdb Generated
ITX-INGREDIENT-911577D3377D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H18O3/c1-18-13-6-7-15-11(8-13)4-5-12-9-14(19-2)10-16(20-3)17(12)15/h6-10H,4-5H2,1-3H3
Mol Wt
270.328
Mol Log P
3.478000000000002
Version
v1,v2
In Ch Ikey
GKXBCRATDFSQOD-UHFFFAOYSA-N
Ob Score
17.87817.8780439317.878044
Suppress
0
Tcm Name
白芨
Tcm Name2
BAI JI
Mol2 Path
/TCM_database/2007_3d_all/21910.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Common Bletilla
Drug Likeness
0.854
Num Hacceptors
3
Isomeric Smiles
COC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3OC)OC
Molecule Weight
270.35
Canonical Smiles
COC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3OC)OC
Herb Alias Names
SCHEMBL1978237
Molecular Weight
270.130
Molecular Weight
270.32 g/mol
Molecular Formula
C17H18O3
Molecular Formula
C17H18O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.901
Quantitative Estimate Of Drug Likeness（Qed）
0.854