Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 4Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 47251
- Core Entity Id
- 90262
- Source Entity Count
- 1
- Preferred Name
- Pinene
- Name En
- Pubchem Id
- 15837102
- Smiles Canonical
- CC1=C2CC(C2(C)C)CC1
- Molecular Formula
- C10H16
- Molecular Weight
- 136.2600
- Inchikey
- NDUIFQPPDDOKRN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8H,4-6H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- 37.6652
- Mol Logp
- 2.6000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(±)-α-pinene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pinene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
γ-pinene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
金银花(忍冬)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
黄蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
JIN YIN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Honeysuckle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Virgate Wormwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(±)-α-pineneγ-pinene金银花(忍冬)黄蒿HUANG HAOJIN YIN HUAJapanese HoneysuckleVirgate Wormwood
Cross References
Trusted external identifiers retained for this final record.
Pub Chem
15837102
Tcmbank
TCMBANKIN024581TCMBANKIN033393TCMBANKIN038050TCMBANKIN038918
Etcm Ingredient
(+)-α-Pinene(+)-β-pinene(-)-α-Pinene(-)-β-pinene(±)-α-pinenePineneα-Pineneβ-Pineneγ-pinene
Itcmdb Generated
ITX-INGREDIENT-554C1F4013B0ITX-INGREDIENT-637A088AC29BITX-INGREDIENT-7787C2EE2369ITX-INGREDIENT-784279703623ITX-INGREDIENT-8941C7921BCAITX-INGREDIENT-9C287A647274ITX-INGREDIENT-9F8904C07782ITX-INGREDIENT-BB0635B5148DITX-INGREDIENT-C389B38547B1ITX-INGREDIENT-ED67D9058124ITX-INGREDIENT-F38733AA09BC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1v1,v2
Ob Score
37.665175937.665176
Suppress
0
Tcm Name
金银花(忍冬)黄蒿
Tcm Name2
HUANG HAOJIN YIN HUA
Mol2 Path
/TCM_database/2007_3d_all/17376.mol2/TCM_database/2007_3d_all/17377.mol2
Reference
2, 11, 658, 660, 5501, 55082, 11, 658, 660, 5520
Tcm Name En
Japanese HoneysuckleVirgate Wormwood
Molecule Weight
136.26
Molecular Weight
108.090136.130
Molecular Weight
136.26
Molecular Formula
C10H16C8H12
Fda Maximum Daily Dose (Fdamdd)
0.0200.0260.0510.2070.4200.5810.7490.9750.978
Quantitative Estimate Of Drug Likeness（Qed）
0.4180.449