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
- 13680
- Core Entity Id
- 18376
- Source Entity Count
- 1
- Preferred Name
- Canusesnol i
- Name En
- Pubchem Id
- 11195778
- Smiles Canonical
- CC1CC(CC(C12CCC(C2)C(=C)C)CO)O
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.3710
- Inchikey
- LOLOOEMMLLRJKC-QKGCVVFFSA-N
- Inchi
- InChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12+,13-,14+,15-/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@@H](C[C@@H]([C@@]12CC[C@@H](C2)C(=C)C)CO)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7483
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Canusesnol I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Canusesnol I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Canusesnol i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Canusesnol i
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
HBIN019633
Tcmid
3112
Pub Chem
11195778
Tcmbank
TCMBANKIN042033
Etcm Ingredient
Canusesnol I
Itcmdb Generated
ITX-INGREDIENT-6A537A08A8A1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12+,13-,14+,15-/m1/s1
Mol Wt
238.371
Mol Log P
2.748300000000002
In Ch Ikey
LOLOOEMMLLRJKC-QKGCVVFFSA-N
Tcm Name
红海椒
Tcm Name2
HONG HAI JIAO
Mol2 Path
/TCM_database/2007_3d_all/03112.mol2
Reference
4779
Num Hdonors
2
Tcm Name En
Sweet Pepper
Drug Likeness
0.726
Num Hacceptors
2
Isomeric Smiles
C[C@@H]1C[C@@H](C[C@@H]([C@@]12CC[C@@H](C2)C(=C)C)CO)O
Canonical Smiles
CC1CC(CC(C12CCC(C2)C(=C)C)CO)O
Molecular Weight
224.180
Molecular Weight
238.37 g/mol
Molecular Formula
C14H24O2
Molecular Formula
C15H26O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.989
Quantitative Estimate Of Drug Likeness（Qed）
0.672