Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28611
- Core Entity Id
- 34987
- Source Entity Count
- 1
- Preferred Name
- Opuntin b
- Name En
- Pubchem Id
- 12088673
- Smiles Canonical
- C1=CC=C(C=C1)N2C(=O)C=C(C2=O)CC3=CC=C(C=C3)O
- Molecular Formula
- C17H13NO3
- Molecular Weight
- 279.0900
- Inchikey
- CFZCXOHSIKIJGY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H13NO3/c19-15-8-6-12(7-9-15)10-13-11-16(20)18(17(13)21)14-4-2-1-3-5-14/h1-9,11,19H,10H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 57.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Opuntin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Opuntin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Opuntin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
opuntin b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038224
Tcmid
16148
Tcmbank
TCMBANKIN043245
Etcm Ingredient
Opuntin B
Itcmdb Generated
ITX-INGREDIENT-3CC1B77AB59E
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/16158.mol2
Reference
2473
Molecular Weight
279.090
Molecular Formula
C17H13NO3
Molecular Formula
C17H13NO3
Molecular Formula
C17H13NO3
Fda Maximum Daily Dose (Fdamdd)
0.321
Quantitative Estimate Of Drug Likeness（Qed）
0.878