Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37511
- Core Entity Id
- 56383
- Source Entity Count
- 1
- Preferred Name
- 10-nonacosanol
- Name En
- Pubchem Id
- 25240035
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
- Molecular Formula
- C29H60O
- Molecular Weight
- 424.7980
- Inchikey
- CPGCVOVWHCWVTP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C29H60O/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/h29-30H,3-28H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
- Cas Id
- 2606-50-0
- Ob Score
- 11.3279
- Mol Logp
- 10.5297
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 26
- Drug Likeness
- 0.1370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10-Nonacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
10-Nonacosanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
10-Nonacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-nonacosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
10-nonacosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
秃疮花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TU CHUANG HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Slenderstalk Dicranostigma
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+-)-10-Nonacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-10-nonacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-10-Nonacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-10-Nonacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
504-55-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
504-55-2
Role
alias
Source
HERB_v2
Preferred
No
Name
8OKH624Z3B
Role
alias
Source
HERB_v2
Preferred
No
Name
8OKH624Z3B
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 380686
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 380686
Role
alias
Source
HERB_v2
Preferred
No
Name
Nonacosan-10-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonacosan-10-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8OKH624Z3B
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8OKH624Z3B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginnol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(10S)-10-Nonacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(10S)-nonacosan-10-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(+)-Ginnol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-nonacosan-10-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Nonacosanol, (10S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2606-50-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
4O3O05K5Q3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Celidoniol
Role
alias
Source
itcmdb_public
Preferred
No
Name
nonacosan-10S-ol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
秃疮花TU CHUANG HUASlenderstalk Dicranostigma(+-)-10-Nonacosanol(+/-)-10-nonacosanol(S)-10-Nonacosanol504-55-28OKH624Z3BNSC 380686Nonacosan-10-olUNII-8OKH624Z3BGinnol(10S)-10-Nonacosanol(10S)-nonacosan-10-ol(S)-(+)-Ginnol(S)-nonacosan-10-ol10-Nonacosanol, (10S)-2606-50-04O3O05K5Q3Celidoniolnonacosan-10S-ol
Cross References
Trusted external identifiers retained for this final record.
Cas
2606-50-0504-55-2
Herb
HBIN000172HBIN027691
Npass
NPC287301NPC21535
Tcmid
1565524492
Tcmsp
MOL002013MOL003030
Sym Map
SMIT00482SMIT05173
Tcm Id
4055
Pub Chem
2524003516057860342803
Tcmbank
TCMBANKIN038344TCMBANKIN061110
Etcm Ingredient
10-Nonacosanol
Itcmdb Generated
ITX-INGREDIENT-3BE81E13977CITX-INGREDIENT-A79E840B1491
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C29H60O/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/h29-30H,3-28H2,1-2H3
Mol Wt
424.7980000000003
Cas Id
2606-50-0
Smiles
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
Mol Log P
10.52969999999999
Version
v1,v2
In Ch Ikey
CPGCVOVWHCWVTP-UHFFFAOYSA-N
Ob Score
11.3279154811.328
Suppress
0
Tcm Name
秃疮花
Tcm Name2
TU CHUANG HUA
Mol2 Path
/TCM_database/2007_3d_all/15664.mol2
Reference
660, 1521
Num Hdonors
1
Tcm Name En
Slenderstalk Dicranostigma
Drug Likeness
0.137
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
Molecule Weight
424.89
Canonical Smiles
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O
Herb Alias Names
Nonacosan-10-ol504-55-28OKH624Z3B(+-)-10-Nonacosanol(+/-)-10-nonacosanolUNII-8OKH624Z3BNSC 380686NSC-380686(S)-10-Nonacosanol
Molecular Weight
424.460
Molecular Weight
424.8 g/mol
Molecule Formula
C29H60O
Molecular Formula
C29H60O
Molecular Formula
C29H60O
Molecular Formula
C29H60O
Num Rotatable Bonds
26
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.137