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
- 41821
- Core Entity Id
- 84832
- Source Entity Count
- 1
- Preferred Name
- Hyperpapuanone
- Name En
- Pubchem Id
- 10454477
- Smiles Canonical
- CC(C)C(=O)C1=C(C2(CC(C(C(C1=O)(C2=O)CC=C(C)C)(C)C)CC=C(C)C)C)O
- Molecular Formula
- C26H38O4
- Molecular Weight
- 414.2800
- Inchikey
- QEYAXWWVLWAZMW-IHMJZKOGSA-N
- Inchi
- InChI=1S/C26H38O4/c1-15(2)10-11-18-14-25(9)21(28)19(20(27)17(5)6)22(29)26(23(25)30,24(18,7)8)13-12-16(3)4/h10,12,17-18,28H,11,13-14H2,1-9H3/t18-,25-,26+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.8000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 71.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hyperpapuanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hyperpapuanone
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN005833
Etcm Ingredient
Hyperpapuanone
Itcmdb Generated
ITX-INGREDIENT-7B57D69DA0A4ITX-INGREDIENT-80EF07FB7253
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
贯叶连翘
Tcm Name2
Hypericum papuanum (Clusiaceae)
Mol2 Path
/TCM_database/2007_3d_all/10889.mol2
Reference
5371
Molecular Weight
414.280
Molecular Formula
C26H38O4
Fda Maximum Daily Dose (Fdamdd)
0.071
Quantitative Estimate Of Drug Likeness（Qed）
0.437