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
- 29410
- Core Entity Id
- 35875
- Source Entity Count
- 1
- Preferred Name
- Perforamone a
- Name En
- Pubchem Id
- 11572850
- Smiles Canonical
- CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)CC3C(O3)(C)C
- Molecular Formula
- C16H18O5
- Molecular Weight
- 290.3150
- Inchikey
- TYPTVMRZTYOAKK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H18O5/c1-8-5-10(17)14-11(18)7-12(19-4)9(15(14)20-8)6-13-16(2,3)21-13/h5,7,13,18H,6H2,1-4H3
- Isomeric Smiles
- CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)CC3C(O3)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.5355
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Perforamone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Perforamone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
perforamone a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039211
Tcmid
16899
Pub Chem
11572850
Tcmbank
TCMBANKIN040657
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H18O5/c1-8-5-10(17)14-11(18)7-12(19-4)9(15(14)20-8)6-13-16(2,3)21-13/h5,7,13,18H,6H2,1-4H3
Mol Wt
290.3150000000001
Smiles
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)CC3C(O3)(C)C
Mol Log P
2.535520000000001
In Ch Ikey
TYPTVMRZTYOAKK-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/16912.mol2
Reference
25
Num Hdonors
1
Drug Likeness
0.879
Num Hacceptors
5
Isomeric Smiles
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)CC3C(O3)(C)C
Canonical Smiles
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)CC3C(O3)(C)C
Molecular Weight
290.31 g/mol
Molecular Formula
C16H18O5
Molecular Formula
C16H18O5
Num Rotatable Bonds
3