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
- 17020
- Core Entity Id
- 22088
- Source Entity Count
- 1
- Preferred Name
- Dictysine
- Name En
- Pubchem Id
- 102465295
- Smiles Canonical
- CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6O)(CO)O
- Molecular Formula
- C21H33NO3
- Molecular Weight
- 347.4990
- Inchikey
- UZVALMFEKMFXEX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3
- Isomeric Smiles
- CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6O)(CO)O
- Cas Id
- Ob Score
- Mol Logp
- 1.6273
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dictysine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dictysine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dictysine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dictysine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dictysine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,12-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,12-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
67256-05-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
67256-05-7
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
12-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,12-diol67256-05-7
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023727
Npass
NPC146319
Tcmid
5457
Sym Map
SMIT15047
Pub Chem
102465295446311995259652
Tcmbank
TCMBANKIN020979
Etcm Ingredient
Dictysine
Itcmdb Generated
ITX-INGREDIENT-814A8EDBA757
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H33NO3/c1-18-5-3-6-20-14(18)9-13(16(20)22(2)10-18)19-7-4-12(8-15(19)20)21(25,11-23)17(19)24/h12-17,23-25H,3-11H2,1-2H3
Mol Wt
347.4990000000001
Smiles
CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6O)(CO)O
Mol Log P
1.6273
Version
v1,v2
In Ch Ikey
UZVALMFEKMFXEX-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.675
Num Hacceptors
4
Isomeric Smiles
CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6O)(CO)O
Canonical Smiles
CC12CCCC34C1CC(C3N(C2)C)C56C4CC(CC5)C(C6O)(CO)O
Herb Alias Names
67256-05-712-(hydroxymethyl)-5,7-dimethyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,12-diol
Molecular Weight
347.250
Molecular Weight
347.5 g/mol
Molecule Formula
C21H33NO3
Molecular Formula
C21H33NO3
Molecular Formula
C21H33NO3
Molecular Formula
C21H33NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.989
Quantitative Estimate Of Drug Likeness（Qed）
0.675