Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13675
- Core Entity Id
- 18371
- Source Entity Count
- 1
- Preferred Name
- Canusesnol d
- Name En
- Pubchem Id
- 11482218
- Smiles Canonical
- CC12CCC(CC1C(C=CC2O)(C)O)C(C)(C)O
- Molecular Formula
- C15H26O3
- Molecular Weight
- 254.3700
- Inchikey
- ZUGMWWYPPKHNEU-FWZIUSJTSA-N
- Inchi
- InChI=1S/C15H26O3/c1-13(2,17)10-5-7-14(3)11(9-10)15(4,18)8-6-12(14)16/h6,8,10-12,16-18H,5,7,9H2,1-4H3/t10-,11-,12-,14-,15+/m1/s1
- Isomeric Smiles
- C[C@@]12CC[C@H](C[C@H]1[C@@](C=C[C@H]2O)(C)O)C(C)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8616
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Canusesnol D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Canusesnol d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Canusesnol d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
canusesnol d
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019628
Npass
NPC246191
Tcmid
3107
Pub Chem
11482218
Tcmbank
TCMBANKIN046588
Etcm Ingredient
Canusesnol D
Itcmdb Generated
ITX-INGREDIENT-C0208C858C19
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O3/c1-13(2,17)10-5-7-14(3)11(9-10)15(4,18)8-6-12(14)16/h6,8,10-12,16-18H,5,7,9H2,1-4H3/t10-,11-,12-,14-,15+/m1/s1
Mol Wt
254.37
Smiles
CC12CCC(CC1C(C=CC2O)(C)O)C(C)(C)O
Mol Log P
1.8616
In Ch Ikey
ZUGMWWYPPKHNEU-FWZIUSJTSA-N
Mol2 Path
/TCM_database/2007_3d_all/03107.mol2
Reference
4779
Num Hdonors
3
Drug Likeness
0.626
Num Hacceptors
3
Isomeric Smiles
C[C@@]12CC[C@H](C[C@H]1[C@@](C=C[C@H]2O)(C)O)C(C)(C)O
Canonical Smiles
CC12CCC(CC1C(C=CC2O)(C)O)C(C)(C)O
Molecular Weight
254.190
Molecular Weight
254.36 g/mol
Molecular Formula
C15H26O3
Molecular Formula
C15H26O3
Molecular Formula
C15H26O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.230
Quantitative Estimate Of Drug Likeness（Qed）
0.626