Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70426
- Core Entity Id
- 133075
- Source Entity Count
- 1
- Preferred Name
- botcinins D
- Name En
- Pubchem Id
- 11646318
- Smiles Canonical
- CCCCC(C=CC(=O)OC1C(C2C(C=C(C(=O)O2)C)(OC1C)C)C)O
- Molecular Formula
- C20H30O6
- Molecular Weight
- 366.2000
- Inchikey
- QJUKURZOKSVYNB-QMYRPDPQSA-N
- Inchi
- InChI=1S/C20H30O6/c1-6-7-8-15(21)9-10-16(22)24-17-13(3)18-20(5,26-14(17)4)11-12(2)19(23)25-18/h9-11,13-15,17-18,21H,6-8H2,1-5H3/b10-9+/t13-,14+,15+,17-,18+,20-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.1000
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 82.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
botcinins D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
botcinins D
Itcmdb Generated
ITX-INGREDIENT-68A8BAEA9837
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
366.200
Molecular Formula
C20H30O6
Fda Maximum Daily Dose (Fdamdd)
0.174
Quantitative Estimate Of Drug Likeness（Qed）
0.644