Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4732
- Core Entity Id
- 8450
- Source Entity Count
- 1
- Preferred Name
- 3-methylphenanthrene
- Name En
- Pubchem Id
- 13258
- Smiles Canonical
- CC1=CC2=C(C=C1)C=CC3=CC=CC=C32
- Molecular Formula
- C15H12
- Molecular Weight
- 192.2610
- Inchikey
- GKYWZUBZZBHZKU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3
- Isomeric Smiles
- CC1=CC2=C(C=C1)C=CC3=CC=CC=C32
- Cas Id
- 832-71-3
- Ob Score
- 17.1065
- Mol Logp
- 4.3014
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Methylphenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-methyl phenanthrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-methylphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-methylphenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-methylphenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-MethyIphenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-MethyIphenanthrene
Role
alias
Source
TCMBank
Preferred
No
Name
3-MethyIphenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methyl phenanthrene
Role
alias
Source
TCMBank
Preferred
No
Name
3-methyl-phenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methyl-phenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
631K6Z695J
Role
alias
Source
TCMBank
Preferred
No
Name
631K6Z695J
Role
alias
Source
HERB_v2
Preferred
No
Name
631K6Z695J
Role
alias
Source
itcmdb_public
Preferred
No
Name
832-71-3
Role
alias
Source
HERB_v2
Preferred
No
Name
832-71-3
Role
alias
Source
TCMBank
Preferred
No
Name
832-71-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L21DC
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-209prs
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015905971
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-37670
Role
alias
Source
TCMBank
Preferred
No
Name
BG01203851
Role
alias
Source
TCMBank
Preferred
No
Name
C-08454
Role
alias
Source
TCMBank
Preferred
No
Name
CC-15640
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-25755
Role
alias
Source
TCMBank
Preferred
No
Name
CTK3E9463
Role
alias
Source
TCMBank
Preferred
No
Name
DB-056705
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID7052731
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 212-623-7
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 212-623-7
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 212-623-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
FT-0633015
Role
alias
Source
TCMBank
Preferred
No
Name
GKYWZUBZZBHZKU-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
I14-23167
Role
alias
Source
TCMBank
Preferred
No
Name
KS-000017KZ
Role
alias
Source
TCMBank
Preferred
No
Name
M0523
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-8987827528
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00216221
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 408897
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 408897
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-408897
Role
alias
Source
TCMBank
Preferred
No
Name
Phenanthrene, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenanthrene, 3-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Phenanthrene, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenanthrene, 3-methyl- (8CI)(9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
TC-126415
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-631K6Z695J
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-631K6Z695J
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-631K6Z695J
Role
alias
Source
itcmdb_public
Preferred
No
Name
VZ27112
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC1600965
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-methyl phenanthrene3-MethyIphenanthrene3-methyl-phenanthrene631K6Z695J832-71-3AC1L21DCACMC-209prsAKOS015905971ANW-37670BG01203851C-08454CC-15640CJ-25755CTK3E9463DB-056705DTXSID7052731EINECS 212-623-7FT-0633015GKYWZUBZZBHZKU-UHFFFAOYSA-NI14-23167KS-000017KZM0523MCULE-8987827528MFCD00216221NSC 408897NSC-408897Phenanthrene, 3-methyl-Phenanthrene, 3-methyl- (8CI)(9CI)TC-126415UNII-631K6Z695JVZ27112ZINC1600965
Cross References
Trusted external identifiers retained for this final record.
Cas
832-71-3
Herb
HBIN008963
Npass
NPC251847
Tcmid
2384925095
Tcmsp
MOL010766
Sym Map
SMIT01912SMIT02472SMIT11762
Tcm Id
8030
Pub Chem
13258
Tcmbank
TCMBANKIN007778
Etcm Ingredient
3-methyl phenanthrene
Itcmdb Generated
ITX-INGREDIENT-C7D603CE6E4D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3
Mol Wt
192.261
Cas Id
832-71-3
Smiles
CC1=CC2=C(C=C1)C=CC3=CC=CC=C32
Mol Log P
4.301420000000003
Version
v1,v2
In Ch Ikey
GKYWZUBZZBHZKU-UHFFFAOYSA-N
Ob Score
17.10645424
Suppress
1
Num Hdonors
0
Drug Likeness
0.466
Num Hacceptors
0
Isomeric Smiles
CC1=CC2=C(C=C1)C=CC3=CC=CC=C32
Molecule Weight
192.26|192.27
Canonical Smiles
CC1=CC2=C(C=C1)C=CC3=CC=CC=C32
Herb Alias Names
832-71-3Phenanthrene, 3-methyl-3-MethyIphenanthrene3-methyl-phenanthreneUNII-631K6Z695JEINECS 212-623-7631K6Z695JNSC 408897NSC-408897
Molecular Weight
242.110
Molecular Weight
192.26
Molecule Formula
C15H12|C19H14
Molecular Formula
C19H14
Molecular Formula
C15H12
Molecular Formula
C15H12
Num Rotatable Bonds
0
Link Ingredient Id
1912.0
Fda Maximum Daily Dose (Fdamdd)
0.815
Quantitative Estimate Of Drug Likeness（Qed）
0.359