Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20160
- Core Entity Id
- 25588
- Source Entity Count
- 1
- Preferred Name
- Ginnone
- Name En
- Pubchem Id
- 441490
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC
- Molecular Formula
- C29H58O
- Molecular Weight
- 422.7820
- Inchikey
- ZPVRGRJHOPAZOE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC
- Cas Id
- 504-56-3
- Ob Score
- 12.1890
- Mol Logp
- 10.7379
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 26
- Drug Likeness
- 0.1270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ginnone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginnone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginnone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
10-Nonacosanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Nonacosanone
Role
alias
Source
HERB_v2
Preferred
No
Name
504-56-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
504-56-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:7612
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:7612
Role
alias
Source
itcmdb_public
Preferred
No
Name
Celidonione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Celidonione
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40331587
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40331587
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginnon
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginnon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonacosan-10-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Nonacosan-10-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-XU5WRR36WF
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-XU5WRR36WF
Role
alias
Source
itcmdb_public
Preferred
No
Name
XU5WRR36WF
Role
alias
Source
HERB_v2
Preferred
No
Name
XU5WRR36WF
Role
alias
Source
itcmdb_public
Preferred
No
Name
白果叶(银杏叶); 鸡毛松
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI GUO YE; JI MAO SONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ginkgo Leaf; Imbricate Podocarpus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-Nonacosanone504-56-3CHEBI:7612CelidonioneDTXSID40331587GinnonNonacosan-10-oneUNII-XU5WRR36WFXU5WRR36WF白果叶(银杏叶); 鸡毛松BAI GUO YE; JI MAO SONGGinkgo Leaf; Imbricate Podocarpus
Cross References
Trusted external identifiers retained for this final record.
Cas
504-56-3
Herb
HBIN027692HBIN000173
Npass
NPC218168
Tcmid
15659
Tcmsp
MOL011590
Sym Map
SMIT12466
Pub Chem
441490
Tcmbank
TCMBANKIN053061TCMBANKIN061103
Etcm Ingredient
10-Nonacosanone
Itcmdb Generated
ITX-INGREDIENT-1B81E90066E7ITX-INGREDIENT-5674F89FD345
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3
Mol Wt
422.7820000000003
Cas Id
504-56-3
Smiles
C([H])([H])(C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(
[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Mol Log P
10.73789999999999
Version
v1,v2
In Ch Ikey
ZPVRGRJHOPAZOE-UHFFFAOYSA-N
Ob Score
12.18912.18905397
Suppress
0
Tcm Name
白果叶(银杏叶); 鸡毛松
Tcm Name2
BAI GUO YE; JI MAO SONG
Mol2 Path
/TCM_database/2003_3d_all/6329.mol2
Reference
6544
Num Hdonors
0
Tcm Name En
Ginkgo Leaf; Imbricate Podocarpus
Drug Likeness
0.127
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC
Molecule Weight
422.87
Canonical Smiles
CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC
Herb Alias Names
Nonacosan-10-one10-NonacosanoneGinnon504-56-3XU5WRR36WFCelidonioneUNII-XU5WRR36WFCHEBI:7612DTXSID40331587
Molecular Weight
422.450
Molecular Weight
422.8 g/mol
Molecular Formula
C29H58O
Molecular Formula
C29H58O
Molecular Formula
C29H58O
Num Rotatable Bonds
26
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.127