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
- 8389
- Core Entity Id
- 12494
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy-4-isopropyl-6-methyl coumarin
- Name En
- Pubchem Id
- 13831855
- Smiles Canonical
- CC1=CC2=C(C=C1O)OC(=O)C=C2C(C)C
- Molecular Formula
- C13H14O3
- Molecular Weight
- 218.2520
- Inchikey
- UFVKXIXGJJWITR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H14O3/c1-7(2)9-5-13(15)16-12-6-11(14)8(3)4-10(9)12/h4-7,14H,1-3H3
- Isomeric Smiles
- CC1=CC2=C(C=C1O)OC(=O)C=C2C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9304
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxy-4-isopropyl-6-methyl coumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy-4-isopropyl-6-methyl coumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-hydroxy-4-isopropyl-6-methyl coumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
金鸡尾巴草根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
IN JI WEI BA CAO GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金鸡尾巴草根IN JI WEI BA CAO GEN
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013232
Tcmid
10262
Pub Chem
13831855
Tcmbank
TCMBANKIN048534
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H14O3/c1-7(2)9-5-13(15)16-12-6-11(14)8(3)4-10(9)12/h4-7,14H,1-3H3
Mol Wt
218.252
Mol Log P
2.930420000000001
In Ch Ikey
UFVKXIXGJJWITR-UHFFFAOYSA-N
Tcm Name
金鸡尾巴草根
Tcm Name2
IN JI WEI BA CAO GEN
Mol2 Path
/TCM_database/2007_3d_all/10263.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.749
Num Hacceptors
3
Isomeric Smiles
CC1=CC2=C(C=C1O)OC(=O)C=C2C(C)C
Canonical Smiles
CC1=CC2=C(C=C1O)OC(=O)C=C2C(C)C
Molecular Weight
218.25 g/mol
Molecular Formula
C13H14O3
Num Rotatable Bonds
1