Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28991
- Core Entity Id
- 35410
- Source Entity Count
- 1
- Preferred Name
- Palmitone
- Name En
- Pubchem Id
- 94741
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
- Molecular Formula
- C31H62O
- Molecular Weight
- 450.8360
- Inchikey
- UNRFDARCMOHDBJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
- Cas Id
- 502-73-8
- Ob Score
- 11.8540
- Mol Logp
- 11.5181
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 28
- Drug Likeness
- 0.1080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Palmitone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Palmitone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Palmitone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Palmitone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
16-HEBTRIACONTANONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
16-HEBTRIACONTANONE
Role
alias
Source
HERB_v2
Preferred
No
Name
16-HEBTRIACONTANONE
Role
alias
Source
TCMBank
Preferred
No
Name
16-Hentriacontanone
Role
alias
Source
HERB_v2
Preferred
No
Name
16-Hentriacontanone
Role
alias
Source
TCMBank
Preferred
No
Name
16-Hentriacontanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
502-73-8
Role
alias
Source
TCMBank
Preferred
No
Name
502-73-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
502-73-8
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L3ST0
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-1AU7I
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-22025
Role
alias
Source
TCMBank
Preferred
No
Name
AK162853
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS024390969
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-30948
Role
alias
Source
TCMBank
Preferred
No
Name
C-46470
Role
alias
Source
TCMBank
Preferred
No
Name
C08379
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:5658
Role
alias
Source
TCMBank
Preferred
No
Name
CTK1H0612
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID00198239
Role
alias
Source
TCMBank
Preferred
No
Name
Dipentadecyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
Dipentadecyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dipentadecyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 207-952-8
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0736780
Role
alias
Source
TCMBank
Preferred
No
Name
GR7I8IC3NO
Role
alias
Source
TCMBank
Preferred
No
Name
HEBTRIACONTANONE
Role
alias
Source
TCMBank
Preferred
No
Name
HEBTRIACONTANONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
HEBTRIACONTANONE
Role
alias
Source
HERB_v2
Preferred
No
Name
Hentriacontan-16-one
Role
alias
Source
TCMBank
Preferred
No
Name
Hentriacontan-16-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Hentriacontan-16-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hentricontan-16-one
Role
alias
Source
TCMBank
Preferred
No
Name
Hentricontan-16-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hentricontan-16-one
Role
alias
Source
HERB_v2
Preferred
No
Name
I14-101307
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA12000005
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-1539628749
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00059222
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-003-906-056
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-953
Role
alias
Source
TCMBank
Preferred
No
Name
Pentadecyl ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
Pentadecyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
Pentadecyl ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
SBB061344
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL352951
Role
alias
Source
TCMBank
Preferred
No
Name
ST51047368
Role
alias
Source
TCMBank
Preferred
No
Name
TC-119693
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-GR7I8IC3NO
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-GR7I8IC3NO
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-GR7I8IC3NO
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNRFDARCMOHDBJ-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC8221066
Role
alias
Source
TCMBank
Preferred
No
Name
palmitone
Role
alias
Source
TCMBank
Preferred
No
Name
柘藤;枕材
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHEN CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Pungent Litse
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
16-HEBTRIACONTANONE16-Hentriacontanone502-73-8AC1L3ST0ACMC-1AU7IAI3-22025AK162853AKOS024390969ANW-30948C-46470C08379CHEBI:5658CTK1H0612DTXSID00198239Dipentadecyl ketoneEINECS 207-952-8FT-0736780GR7I8IC3NOHEBTRIACONTANONEHentriacontan-16-oneHentricontan-16-oneI14-101307LMFA12000005MCULE-1539628749MFCD00059222MolPort-003-906-056NSC-953Pentadecyl ketoneSBB061344SCHEMBL352951ST51047368TC-119693UNII-GR7I8IC3NOUNRFDARCMOHDBJ-UHFFFAOYSA-NZINC8221066柘藤;枕材ZHEN CAIPungent Litse
Cross References
Trusted external identifiers retained for this final record.
Cas
502-73-8
Herb
HBIN038699
Npass
NPC199024
Tcmid
16551
Tcmsp
MOL005644
Sym Map
SMIT07370SMIT17087
Tcm Id
2059
Pub Chem
94741
Tcmbank
TCMBANKIN005828TCMBANKIN056870
Itcmdb Generated
ITX-INGREDIENT-3C1F231B7EB6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
Mol Wt
450.8360000000005
Cas Id
502-73-8
Smiles
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
Mol Log P
11.51809999999999
Version
v1,v2
In Ch Ikey
UNRFDARCMOHDBJ-UHFFFAOYSA-N
Ob Score
11.85411.8544115311.854412
Suppress
1
Tcm Name
柘藤;枕材
Tcm Name2
ZHEN CAI
Mol2 Path
/TCM_database/2003_3d_all/6597.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Pungent Litse
Drug Likeness
0.108
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
Molecule Weight
450.93
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
Herb Alias Names
16-HentriacontanoneHentriacontan-16-one502-73-8Dipentadecyl ketonePentadecyl ketoneHentricontan-16-oneHEBTRIACONTANONE16-HEBTRIACONTANONEUNII-GR7I8IC3NO
Molecular Weight
450.82
Molecular Formula
C31H62O
Molecular Formula
C31H62O
Num Rotatable Bonds
28
Link Ingredient Id
7370.0