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
- 31659
- Core Entity Id
- 38378
- Source Entity Count
- 1
- Preferred Name
- Reframidine
- Name En
- Pubchem Id
- 436140
- Smiles Canonical
- CN1CC2C3=CC4=C(C=C3CC1C5=CC6=C(C=C25)OCO6)OCO4
- Molecular Formula
- C19H17NO4
- Molecular Weight
- 323.3480
- Inchikey
- VCIZOTXPSIGTKG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H17NO4/c1-20-7-14-11-4-17-16(21-8-22-17)3-10(11)2-15(20)13-6-19-18(5-12(13)14)23-9-24-19/h3-6,14-15H,2,7-9H2,1H3
- Isomeric Smiles
- CN1CC2C3=CC4=C(C=C3CC1C5=CC6=C(C=C25)OCO6)OCO4
- Cas Id
- Ob Score
- Mol Logp
- 2.8185
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Reframidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Reframidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
reframidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+-)-Teframidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+-)-Teframidine
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC383454
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC383454
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+-)-TeframidineNSC383454
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041986
Tcmid
18555
Pub Chem
436140
Tcmbank
TCMBANKIN045417
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H17NO4/c1-20-7-14-11-4-17-16(21-8-22-17)3-10(11)2-15(20)13-6-19-18(5-12(13)14)23-9-24-19/h3-6,14-15H,2,7-9H2,1H3
Mol Wt
323.3480000000001
Smiles
CN1CC2C3=CC4=C(C=C3CC1C5=CC6=C(C=C25)OCO6)OCO4
Mol Log P
2.818500000000001
In Ch Ikey
VCIZOTXPSIGTKG-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/18570.mol2
Reference
660
Num Hdonors
0
Drug Likeness
0.745
Num Hacceptors
5
Isomeric Smiles
CN1CC2C3=CC4=C(C=C3CC1C5=CC6=C(C=C25)OCO6)OCO4
Canonical Smiles
CN1CC2C3=CC4=C(C=C3CC1C5=CC6=C(C=C25)OCO6)OCO4
Herb Alias Names
(+-)-TeframidineNSC383454NSC-383454
Molecular Formula
C19H17NO4
Molecular Formula
C19H17NO4
Num Rotatable Bonds
0