Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1371
- Core Entity Id
- 4717
- Source Entity Count
- 1
- Preferred Name
- 2,7-dimethylphenanthrene
- Name En
- Pubchem Id
- 15305
- Smiles Canonical
- CC1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)C
- Molecular Formula
- C16H14
- Molecular Weight
- 206.2880
- Inchikey
- BKPXLOGIVVCOHT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3-10H,1-2H3
- Isomeric Smiles
- CC1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)C
- Cas Id
- 1576-69-8
- Ob Score
- 18.9320
- 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
2,7-Dimethylphenanthrene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,7-DIMETHYLPHENANTHRENE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,7-DIMETHYLPHENANTHRENE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,7-Dimethylphenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,7-dimethylphenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,7-dimethylphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1576-69-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
1576-69-8
Role
alias
Source
TCMBank
Preferred
No
Name
1576-69-8
Role
alias
Source
HERB_v2
Preferred
No
Name
2,7-dimethyl-phenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,7-dimethyl-phenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID5061798
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID5061798
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 407670
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 407670
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-407670
Role
alias
Source
itcmdb_public
Preferred
No
Name
PDG2RR27CN
Role
alias
Source
HERB_v2
Preferred
No
Name
PDG2RR27CN
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenanthrene, 2,7-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenanthrene, 2,7-dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Phenanthrene, 2,7-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenanthrene, 2,7-dimethyl- (8CI)(9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-PDG2RR27CN
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-PDG2RR27CN
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1576-69-82,7-dimethyl-phenanthreneDTXSID5061798NSC 407670NSC-407670PDG2RR27CNPhenanthrene, 2,7-dimethyl-Phenanthrene, 2,7-dimethyl- (8CI)(9CI)UNII-PDG2RR27CN
Cross References
Trusted external identifiers retained for this final record.
Cas
1576-69-8
Herb
HBIN005031
Tcmsp
MOL012923
Sym Map
SMIT13641
Pub Chem
15305
Tcmbank
TCMBANKIN024239
Etcm Ingredient
2,7-DIMETHYLPHENANTHRENE
Itcmdb Generated
ITX-INGREDIENT-62986DA99A0A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3-10H,1-2H3
Mol Wt
206.288
Cas Id
1576-69-8
Smiles
CC1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)C
Mol Log P
4.609840000000004
Version
v1,v2
In Ch Ikey
BKPXLOGIVVCOHT-UHFFFAOYSA-N
Ob Score
18.93218.9321527618.932153
Suppress
0
Num Hdonors
0
Drug Likeness
0.471
Num Hacceptors
0
Isomeric Smiles
CC1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)C
Molecule Weight
206.3
Canonical Smiles
CC1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)C
Herb Alias Names
1576-69-8Phenanthrene, 2,7-dimethyl-PDG2RR27CN2,7-dimethyl-phenanthreneUNII-PDG2RR27CNNSC 407670NSC-407670DTXSID5061798NSC407670
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)
0.867
Quantitative Estimate Of Drug Likeness（Qed）
0.471