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: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31657
- Core Entity Id
- 38375
- Source Entity Count
- 1
- Preferred Name
- Reevesianine a
- Name En
- Pubchem Id
- 11043197
- Smiles Canonical
- CN1C2=CC=CC=C2C(=O)C=C1C3=CC=C(C=C3)O
- Molecular Formula
- C16H13NO2
- Molecular Weight
- 251.2850
- Inchikey
- IVVGAXUISDFFMZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H13NO2/c1-17-14-5-3-2-4-13(14)16(19)10-15(17)11-6-8-12(18)9-7-11/h2-10,18H,1H3
- Isomeric Smiles
- CN1C2=CC=CC=C2C(=O)C=C1C3=CC=C(C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9111
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Reevesianine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Reevesianine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
reevesianine a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
CHEMBL276760
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL276760
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9390355
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9390355
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL276760SCHEMBL9390355
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041984
Npass
NPC144691
Tcmid
18553
Pub Chem
11043197
Tcmbank
TCMBANKIN045069
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H13NO2/c1-17-14-5-3-2-4-13(14)16(19)10-15(17)11-6-8-12(18)9-7-11/h2-10,18H,1H3
Mol Wt
251.285
Smiles
CN1C2=CC=CC=C2C(=O)C=C1C3=CC=C(C=C3)O
Mol Log P
2.911100000000002
In Ch Ikey
IVVGAXUISDFFMZ-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/18568.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.722
Num Hacceptors
3
Isomeric Smiles
CN1C2=CC=CC=C2C(=O)C=C1C3=CC=C(C=C3)O
Canonical Smiles
CN1C2=CC=CC=C2C(=O)C=C1C3=CC=C(C=C3)O
Herb Alias Names
CHEMBL276760SCHEMBL9390355
Molecular Weight
251.28 g/mol
Molecular Formula
C16H13NO2
Molecular Formula
C16H13NO2
Num Rotatable Bonds
1