Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31054
- Core Entity Id
- 37701
- Source Entity Count
- 1
- Preferred Name
- Pubinernoid a
- Name En
- Pubchem Id
- 101405429
- Smiles Canonical
- CC1(CC2CC(C(=O)C=C1O2)(C)O)C
- Molecular Formula
- C11H16O3
- Molecular Weight
- 196.1100
- Inchikey
- VMQAMBIFNUSHAN-WRWORJQWSA-N
- Inchi
- InChI=1S/C11H16O3/c1-10(2)5-7-6-11(3,13)8(12)4-9(10)14-7/h4,7,13H,5-6H2,1-3H3/t7-,11+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.3000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pubinernoid A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pubinernoid a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pubinernoid a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
pubinernoid A
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041249
Tcmid
34365
Tcmbank
TCMBANKIN022676
Etcm Ingredient
Pubinernoid A
Itcmdb Generated
ITX-INGREDIENT-E44267B5C6C8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
196.110
Molecular Formula
C11H16O3
Fda Maximum Daily Dose (Fdamdd)
0.945
Quantitative Estimate Of Drug Likeness（Qed）
0.596