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
- 21872
- Core Entity Id
- 27496
- Source Entity Count
- 1
- Preferred Name
- Hypacrone
- Name En
- Pubchem Id
- 101297664
- Smiles Canonical
- CC(=CC1=CC(=O)C(C1)(C)C)C2(CC2)C(=O)C
- Molecular Formula
- C15H20O2
- Molecular Weight
- 232.3230
- Inchikey
- QZJJJZCOOVXKLT-YFHOEESVSA-N
- Inchi
- InChI=1S/C15H20O2/c1-10(15(5-6-15)11(2)16)7-12-8-13(17)14(3,4)9-12/h7-8H,5-6,9H2,1-4H3/b10-7-
- Isomeric Smiles
- C/C(=C/C1=CC(=O)C(C1)(C)C)/C2(CC2)C(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.2273
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hypacrone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hypacrone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hypacrone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hypacrone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
姬蕨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI JUE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Punctate Flakelet Fern
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
姬蕨JI JUEPunctate Flakelet Fern
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029817
Npass
NPC55542
Tcmid
10875
Pub Chem
101297664
Tcmbank
TCMBANKIN037924
Etcm Ingredient
Hypacrone
Itcmdb Generated
ITX-INGREDIENT-247FDC662D3B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O2/c1-10(15(5-6-15)11(2)16)7-12-8-13(17)14(3,4)9-12/h7-8H,5-6,9H2,1-4H3/b10-7-
Mol Wt
232.323
Mol Log P
3.227300000000002
In Ch Ikey
QZJJJZCOOVXKLT-YFHOEESVSA-N
Tcm Name
姬蕨
Tcm Name2
JI JUE
Mol2 Path
/TCM_database/2007_3d_all/10876.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Punctate Flakelet Fern
Drug Likeness
0.748
Num Hacceptors
2
Isomeric Smiles
C/C(=C/C1=CC(=O)C(C1)(C)C)/C2(CC2)C(=O)C
Canonical Smiles
CC(=CC1=CC(=O)C(C1)(C)C)C2(CC2)C(=O)C
Molecular Weight
232.150
Molecular Weight
232.32 g/mol
Molecular Formula
C15H20O2
Molecular Formula
C15H20O2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.242
Quantitative Estimate Of Drug Likeness（Qed）
0.748