Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64588
- Core Entity Id
- 111606
- Source Entity Count
- 1
- Preferred Name
- Pterosin B
- Name En
- Pubchem Id
- 115049
- Smiles Canonical
- CC1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C
- Molecular Formula
- C14H18O2
- Molecular Weight
- 218.1300
- Inchikey
- SJNCSXMTBXDZQA-SECBINFHSA-N
- Inchi
- InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3/t9-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.5000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pterosin B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Pterosin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pterosin B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26335
Etcm Ingredient
Pterosin B
Itcmdb Generated
ITX-INGREDIENT-C8261D41A5B2ITX-INGREDIENT-CD77A551627B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
218.130
Molecular Formula
C14H18O2
Fda Maximum Daily Dose (Fdamdd)
0.409
Quantitative Estimate Of Drug Likeness（Qed）
0.826