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
- 29413
- Core Entity Id
- 35878
- Source Entity Count
- 1
- Preferred Name
- Perforamone d
- Name En
- Pubchem Id
- 441980
- Smiles Canonical
- CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)CO)O)C
- Molecular Formula
- C15H14O5
- Molecular Weight
- 274.2720
- Inchikey
- QLDUXSCWWAQMTC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H14O5/c1-15(2)4-3-9-12(20-15)6-11(18)13-10(17)5-8(7-16)19-14(9)13/h3-6,16,18H,7H2,1-2H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)CO)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.1751
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Perforamone D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Perforamone d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Perforamone d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
牛筋果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIU JIN GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Perforated Harrisonia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
17398-11-7
Role
alias
Source
HERB_v2
Preferred
No
Name
17398-11-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(hydroxymethyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(hydroxymethyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9C1K
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9C1K
Role
alias
Source
HERB_v2
Preferred
No
Name
C09029
Role
alias
Source
itcmdb_public
Preferred
No
Name
C09029
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8623
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:8623
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2204370
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2204370
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90331698
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90331698
Role
alias
Source
HERB_v2
Preferred
No
Name
Ptaerochromenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ptaerochromenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27108116
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27108116
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
牛筋果NIU JIN GUOPerforated Harrisonia17398-11-75-hydroxy-2-(hydroxymethyl)-8,8-dimethylpyrano[2,3-h]chromen-4-oneAC1L9C1KC09029CHEBI:8623CHEMBL2204370DTXSID90331698PtaerochromenolQ27108116
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039214
Npass
NPC242100
Tcmid
16902
Pub Chem
441980
Tcmbank
TCMBANKIN037203
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O5/c1-15(2)4-3-9-12(20-15)6-11(18)13-10(17)5-8(7-16)19-14(9)13/h3-6,16,18H,7H2,1-2H3
Mol Wt
274.272
Mol Log P
2.1751
In Ch Ikey
QLDUXSCWWAQMTC-UHFFFAOYSA-N
Tcm Name
牛筋果
Tcm Name2
NIU JIN GUO
Mol2 Path
/TCM_database/2007_3d_all/16915.mol2
Reference
25
Num Hdonors
2
Tcm Name En
Perforated Harrisonia
Drug Likeness
0.833
Num Hacceptors
5
Isomeric Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)CO)O)C
Canonical Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)CO)O)C
Herb Alias Names
Ptaerochromenol17398-11-7CHEBI:8623CHEMBL2204370C090295-hydroxy-2-(hydroxymethyl)-8,8-dimethylpyrano[2,3-h]chromen-4-oneAC1L9C1KDTXSID90331698Q27108116
Molecular Weight
274.27 g/mol
Molecular Formula
C15H14O5
Num Rotatable Bonds
1