IngredientID 51358

Β-Phellandrene

C10H16

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Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 7Ingredient: 1Target: 1Links: 8
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
51358
Core Entity Id
94369
Source Entity Count
1
Preferred Name
Β-Phellandrene
Name En
Pubchem Id
7460
Smiles Canonical
CC1=CCC(C=C1)C(C)C
Molecular Formula
C10H16
Molecular Weight
136.1300
Inchikey
OGLDWXZKYODSOB-UHFFFAOYSA-N
Inchi
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
3.2000
Num H Donors
0
Num H Acceptors
0
Num Rotatable Bonds
1
Drug Likeness
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
phellandrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Β-Phellandrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
α-Phellandrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
水茴香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUI HUI XIANG AN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Phellandral Eucalyptus*
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

phellandreneα-Phellandrene水茴香SHUI HUI XIANG ANPhellandral Eucalyptus*

Cross References

Trusted external identifiers retained for this final record.

Tcmid
17041
Tcmbank
TCMBANKIN038487
Etcm Ingredient
(+)-α-phellandrene(+)-β-phellandrene(-)-α-phellandrene(-)-β-phellandrenephellandrene
Itcmdb Generated
ITX-INGREDIENT-0A711DB22567ITX-INGREDIENT-785C89BAC73AITX-INGREDIENT-A6248E4A3857ITX-INGREDIENT-B50DF0ED373FITX-INGREDIENT-BB4F0365BADDITX-INGREDIENT-E89844FA499C

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Version
v1
Suppress
0
Tcm Name
水茴香
Tcm Name2
SHUI HUI XIANG AN
Mol2 Path
/TCM_database/2007_3d_all/17055.mol2
Reference
2, 658, 660
Tcm Name En
Phellandral Eucalyptus*
Molecular Weight
136.130
Molecular Formula
C10H16
Fda Maximum Daily Dose (Fdamdd)
0.8450.8760.9120.916
Quantitative Estimate Of Drug Likeness(Qed)
0.519