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: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14833
- Core Entity Id
- 19653
- Source Entity Count
- 1
- Preferred Name
- Clavatine
- Name En
- Pubchem Id
- 5315953
- Smiles Canonical
- CC1CC2CC(=O)C3(CCCN4C3(C1)C2CCC4)O
- Molecular Formula
- C16H25NO2
- Molecular Weight
- 263.3810
- Inchikey
- ALARRFUNNZTEFS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)16(19)5-3-7-17-6-2-4-13(12)15(16,17)10-11/h11-13,19H,2-10H2,1H3
- Isomeric Smiles
- CC1CC2CC(=O)C3(CCCN4C3(C1)C2CCC4)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9810
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Clavatine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Clavatine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Clavatine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Clavatine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
clavatine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021060
Npass
NPC136263
Tcmid
3809
Sym Map
SMIT01343
Tcm Id
221515585
Pub Chem
5315953
Tcmbank
TCMBANKIN031979
Etcm Ingredient
Clavatine
Itcmdb Generated
ITX-INGREDIENT-49405B3FFEC5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)16(19)5-3-7-17-6-2-4-13(12)15(16,17)10-11/h11-13,19H,2-10H2,1H3
Mol Wt
263.3809999999999
Smiles
CC1CC2CC(=O)C3(CCCN4C3(C1)C2CCC4)O
Mol Log P
1.981
Version
v1,v2
In Ch Ikey
ALARRFUNNZTEFS-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.726
Num Hacceptors
3
Isomeric Smiles
CC1CC2CC(=O)C3(CCCN4C3(C1)C2CCC4)O
Canonical Smiles
CC1CC2CC(=O)C3(CCCN4C3(C1)C2CCC4)O
Molecular Weight
263.190
Molecule Formula
C16H25NO2
Molecular Formula
C16H25NO2
Molecular Formula
C16H25NO2
Molecular Formula
C16H25NO2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.934
Quantitative Estimate Of Drug Likeness（Qed）
0.726