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
- 13673
- Core Entity Id
- 18369
- Source Entity Count
- 1
- Preferred Name
- Canusesnol b
- Name En
- Pubchem Id
- 11277186
- Smiles Canonical
- CC12CCC(CC1(C(C=CC2=O)(C)O)O)C(C)(C)O
- Molecular Formula
- C15H24O4
- Molecular Weight
- 268.3530
- Inchikey
- MDAKMXLLYBUBPC-KAOXEZKKSA-N
- Inchi
- InChI=1S/C15H24O4/c1-12(2,17)10-5-7-13(3)11(16)6-8-14(4,18)15(13,19)9-10/h6,8,10,17-19H,5,7,9H2,1-4H3/t10-,13+,14-,15+/m1/s1
- Isomeric Smiles
- C[C@@]12CC[C@H](C[C@]1([C@](C=CC2=O)(C)O)O)C(C)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1847
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Canusesnol B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Canusesnol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Canusesnol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Canusesnol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
红海椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG HAI JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sweet Pepper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红海椒HONG HAI JIAOSweet Pepper
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019626
Npass
NPC291741
Tcmid
3105
Pub Chem
11277186
Tcmbank
TCMBANKIN047153
Etcm Ingredient
Canusesnol B
Itcmdb Generated
ITX-INGREDIENT-D921BE49B95E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O4/c1-12(2,17)10-5-7-13(3)11(16)6-8-14(4,18)15(13,19)9-10/h6,8,10,17-19H,5,7,9H2,1-4H3/t10-,13+,14-,15+/m1/s1
Mol Wt
268.353
Mol Log P
1.1847
In Ch Ikey
MDAKMXLLYBUBPC-KAOXEZKKSA-N
Tcm Name
红海椒
Tcm Name2
HONG HAI JIAO
Mol2 Path
/TCM_database/2007_3d_all/03105.mol2
Reference
4779
Num Hdonors
3
Tcm Name En
Sweet Pepper
Drug Likeness
0.667
Num Hacceptors
4
Isomeric Smiles
C[C@@]12CC[C@H](C[C@]1([C@](C=CC2=O)(C)O)O)C(C)(C)O
Canonical Smiles
CC12CCC(CC1(C(C=CC2=O)(C)O)O)C(C)(C)O
Molecular Weight
268.170
Molecular Weight
268.35 g/mol
Molecular Formula
C15H24O4
Molecular Formula
C15H24O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.925
Quantitative Estimate Of Drug Likeness（Qed）
0.667