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
- 13423
- Core Entity Id
- 18089
- Source Entity Count
- 1
- Preferred Name
- Carlinoxide
- Name En
- Pubchem Id
- 124708055
- Smiles Canonical
- C1CC(OC1)C#CCC2=CC=CC=C2
- Molecular Formula
- C13H14O
- Molecular Weight
- 186.2540
- Inchikey
- HOWWJRHBQZWPKM-CYBMUJFWSA-N
- Inchi
- InChI=1S/C13H14O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,5,8,10-11H2/t13-/m1/s1
- Isomeric Smiles
- C1C[C@H](OC1)C#CCC2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 2.4115
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Carlinoxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Carlinoxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
carlinoxide
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019746
Tcmid
3200
Pub Chem
124708055
Tcmbank
TCMBANKIN049333
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H14O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,5,8,10-11H2/t13-/m1/s1
Mol Wt
186.254
Smiles
C1CC(OC1)C#CCC2=CC=CC=C2
Mol Log P
2.4115
In Ch Ikey
HOWWJRHBQZWPKM-CYBMUJFWSA-N
Mol2 Path
/TCM_database/2007_3d_all/03200.mol2
Reference
5505
Num Hdonors
0
Drug Likeness
0.612
Num Hacceptors
1
Isomeric Smiles
C1C[C@H](OC1)C#CCC2=CC=CC=C2
Canonical Smiles
C1CC(OC1)C#CCC2=CC=CC=C2
Molecular Formula
C13H14O
Molecular Formula
C13H14O
Num Rotatable Bonds
1