Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51397
- Core Entity Id
- 94408
- Source Entity Count
- 1
- Preferred Name
- 2β-hydroxycoronopilin
- Name En
- Pubchem Id
- 494553
- Smiles Canonical
- C=C1C(=O)OC2C1CCC(C)C1(O)C(O)CC(=O)C21C
- Molecular Formula
- C15H20O5
- Molecular Weight
- 280.1300
- Inchikey
- YAPWFHYBVVSYKK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O5/c1-7-4-5-9-8(2)13(18)20-12(9)14(3)10(16)6-11(17)15(7,14)19/h7,9,11-12,17,19H,2,4-6H2,1,3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.3000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 83.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2β-Hydroxycoronopilin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2β-hydroxycoronopilin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN038759
Etcm Ingredient
2β-Hydroxycoronopilin
Itcmdb Generated
ITX-INGREDIENT-934F7A013D37
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1CCC2C(C3(C1(C(CC3=O)O)O)C)OC(=O)C2=C
Mol2 Path
/TCM_database/2007_3d_all/09936.mol2
Reference
5106
Molecular Weight
280.130
Molecular Formula
C15H20O5
Molecular Formula
C15H20O5
Fda Maximum Daily Dose (Fdamdd)
0.301
Quantitative Estimate Of Drug Likeness（Qed）
0.501