Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21229
- Core Entity Id
- 26782
- Source Entity Count
- 1
- Preferred Name
- Hentriaconta
- Name En
- Pubchem Id
- 5549
- Smiles Canonical
- C#CC(C=CCCCCCCCCC=CCCCCCCCCC(C#CC#CC#CCO)O)O
- Molecular Formula
- C31H44O3
- Molecular Weight
- 464.6900
- Inchikey
- RYOORYDDTFATPC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C31H44O3/c1-2-30(33)26-22-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23-27-31(34)28-24-20-17-21-25-29-32/h1,4,6,22,26,30-34H,3,5,7-16,18-19,23,27,29H2
- Isomeric Smiles
- C#CC(C=CCCCCCCCCC=CCCCCCCCCC(C#CC#CC#CCO)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.6979
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 19
- Drug Likeness
- 0.1310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hentriaconta
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Hentriaconta
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hentriaconta
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hentriaconta
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hentriaconta
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hentriaconta-
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Hentriaconta-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029045
Npass
NPC184961
Tcmid
3332333324
Sym Map
SMIT24384
Pub Chem
5549
Tcmbank
TCMBANKIN031463
Itcmdb Generated
ITX-INGREDIENT-F5F7A11E1D07
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C31H44O3/c1-2-30(33)26-22-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23-27-31(34)28-24-20-17-21-25-29-32/h1,4,6,22,26,30-34H,3,5,7-16,18-19,23,27,29H2
Mol Wt
464.6900000000003
Smiles
C#CC(C=CCCCCCCCCC=CCCCCCCCCC(C#CC#CC#CCO)O)O
Mol Log P
5.697900000000009
Version
v2
In Ch Ikey
RYOORYDDTFATPC-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.131
Num Hacceptors
3
Isomeric Smiles
C#CC(C=CCCCCCCCCC=CCCCCCCCCC(C#CC#CC#CCO)O)O
Canonical Smiles
C#CC(C=CCCCCCCCCC=CCCCCCCCCC(C#CC#CC#CCO)O)O
Molecular Formula
C31H44O3
Molecular Formula
C31H44O3
Num Rotatable Bonds
19