Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9360
- Core Entity Id
- 13571
- Source Entity Count
- 1
- Preferred Name
- Acanthamolide
- Name En
- Pubchem Id
- 118855998
- Smiles Canonical
- CC1=CC2C(C(C(C(=CCC1)C=O)NC(=O)C(C)C)O)C(=C)C(=O)O2
- Molecular Formula
- C19H25NO5
- Molecular Weight
- 347.4110
- Inchikey
- WBVFVTLURIXLLJ-LPWCVYGASA-N
- Inchi
- InChI=1S/C19H25NO5/c1-10(2)18(23)20-16-13(9-21)7-5-6-11(3)8-14-15(17(16)22)12(4)19(24)25-14/h7-10,14-17,22H,4-6H2,1-3H3,(H,20,23)/b11-8+,13-7+
- Isomeric Smiles
- C/C/1=C\C2C(C(C(/C(=C/CC1)/C=O)NC(=O)C(C)C)O)C(=C)C(=O)O2
- Cas Id
- Ob Score
- Mol Logp
- 1.4513
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Acanthamolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Acanthamolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Acanthamolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
acanthamolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
NSC280452
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC280452
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
NSC280452
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014338
Tcmid
76
Tcm Id
214487248
Pub Chem
1188559985358795
Tcmbank
TCMBANKIN027742
Etcm Ingredient
Acanthamolide
Itcmdb Generated
ITX-INGREDIENT-D16946151142
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H25NO5/c1-10(2)18(23)20-16-13(9-21)7-5-6-11(3)8-14-15(17(16)22)12(4)19(24)25-14/h7-10,14-17,22H,4-6H2,1-3H3,(H,20,23)/b11-8+,13-7+
Mol Wt
347.4110000000001
Smiles
CC1=CC2C(C(C(C(=CCC1)C=O)NC(=O)C(C)C)O)C(=C)C(=O)O2
Mol Log P
1.4513
In Ch Ikey
WBVFVTLURIXLLJ-LPWCVYGASA-N
Num Hdonors
2
Drug Likeness
0.349
Num Hacceptors
5
Isomeric Smiles
C/C/1=C\C2C(C(C(/C(=C/CC1)/C=O)NC(=O)C(C)C)O)C(=C)C(=O)O2
Canonical Smiles
CC1=CC2C(C(C(C(=CCC1)C=O)NC(=O)C(C)C)O)C(=C)C(=O)O2
Herb Alias Names
NSC280452NSC-280452
Molecular Weight
347.170
Molecular Weight
347.4 g/mol
Molecular Formula
C19H25NO5
Molecular Formula
C19H25NO5
Molecular Formula
C19H25NO5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.911
Quantitative Estimate Of Drug Likeness（Qed）
0.349