IngredientID 14588

Ciryneol h

C17H25ClO2

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Relationship Network

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Herb: 2Ingredient: 1Links: 2
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
14588
Core Entity Id
19380
Source Entity Count
1
Preferred Name
Ciryneol h
Name En
Pubchem Id
177827223
Smiles Canonical
CCCC#CC#CC(C(C(CCCCCC=C)O)O)Cl
Molecular Formula
C17H25ClO2
Molecular Weight
296.8000
Inchikey
OUVRBJFOHFLDSO-UHFFFAOYSA-N
Inchi
InChI=1S/C17H25ClO2/c1-3-5-7-9-11-13-15(18)17(20)16(19)14-12-10-8-6-4-2/h4,15-17,19-20H,2-3,5-6,8,10,12,14H2,1H3
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
4.5000
Num H Donors
2
Num H Acceptors
2
Num Rotatable Bonds
10
Drug Likeness
Polar Surface Area
40.5000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Ciryneol H
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ciryneol H
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ciryneol H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ciryneol h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ciryneol h
Role
preferred
Source
HERB_v2
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN020734
Tcmid
34815
Sym Map
SMIT22983
Tcmbank
TCMBANKIN015177
Itcmdb Generated
ITX-INGREDIENT-A4E7F5ED812B

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v2
Suppress
0