Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 531
- Core Entity Id
- 3783
- Source Entity Count
- 1
- Preferred Name
- 2,3-dimethylphenanthrene
- Name En
- Pubchem Id
- 77243
- Smiles Canonical
- CC1=CC2=C(C=C1C)C3=CC=CC=C3C=C2
- Molecular Formula
- C16H14
- Molecular Weight
- 206.2880
- Inchikey
- QVRDLHPBZKOROD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14/c1-11-9-14-8-7-13-5-3-4-6-15(13)16(14)10-12(11)2/h3-10H,1-2H3
- Isomeric Smiles
- CC1=CC2=C(C=C1C)C3=CC=CC=C3C=C2
- Cas Id
- 3674-65-5
- Ob Score
- 20.1180
- Mol Logp
- 4.6098
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-Dimethylphenanthrene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,3-Dimethylphenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-Dimethylphenanthrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3-Dimethylphenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,3-dimethylphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,3-dimethylphenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-Dimethyl phenanthrene
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Dimethyl phenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Dimethyl-phenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3674-65-5
Role
alias
Source
HERB_v2
Preferred
No
Name
3674-65-5
Role
alias
Source
TCMBank
Preferred
No
Name
3674-65-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS021985644
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS021985644
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-216658
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-216658
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID10112688
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID10112688
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00190197
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00190197
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenanthrene, 2,3-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenanthrene, 2,3-dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Phenanthrene, 2,3-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3-Dimethyl phenanthrene2,3-Dimethyl-phenanthrene3674-65-5AKOS021985644DB-216658DTXCID10112688DTXSID00190197Phenanthrene, 2,3-dimethyl-
Cross References
Trusted external identifiers retained for this final record.
Cas
3674-65-5
Herb
HBIN004070
Tcmsp
MOL012086
Sym Map
SMIT12892
Tcm Id
8930
Pub Chem
77243
Tcmbank
TCMBANKIN025033
Etcm Ingredient
2,3-Dimethylphenanthrene
Itcmdb Generated
ITX-INGREDIENT-198C1B60DF43
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14/c1-11-9-14-8-7-13-5-3-4-6-15(13)16(14)10-12(11)2/h3-10H,1-2H3
Mol Wt
206.288
Cas Id
3674-65-5
Smiles
CC1=CC2=C(C=C1C)C3=CC=CC=C3C=C2
Mol Log P
4.609840000000003
Version
v1,v2
In Ch Ikey
QVRDLHPBZKOROD-UHFFFAOYSA-N
Ob Score
20.11820.1182407120.118241
Suppress
0
Num Hdonors
0
Drug Likeness
0.471
Num Hacceptors
0
Isomeric Smiles
CC1=CC2=C(C=C1C)C3=CC=CC=C3C=C2
Molecule Weight
206.3
Canonical Smiles
CC1=CC2=C(C=C1C)C3=CC=CC=C3C=C2
Herb Alias Names
3674-65-5Phenanthrene, 2,3-dimethyl-2,3-Dimethyl phenanthrenePHENANTHRENE,2,3-DIMETHYL-2,3-Dimethyl-phenanthreneDTXSID00190197DTXCID10112688AKOS021985644DB-216658
Molecular Weight
206.110
Molecular Weight
206.28
Molecular Formula
C16H14
Molecular Formula
C16H14
Molecular Formula
C16H14
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.906
Quantitative Estimate Of Drug Likeness（Qed）
0.471