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
- 31658
- Core Entity Id
- 38377
- Source Entity Count
- 1
- Preferred Name
- Reevesianine b
- Name En
- Pubchem Id
- 86150909
- Smiles Canonical
- CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=C(C=C3)O
- Molecular Formula
- C17H15NO3
- Molecular Weight
- 281.3110
- Inchikey
- COFCROPUZBFJMG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H15NO3/c1-18-15-8-7-13(21-2)9-14(15)17(20)10-16(18)11-3-5-12(19)6-4-11/h3-10,19H,1-2H3
- Isomeric Smiles
- CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=C(C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9197
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Reevesianine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Reevesianine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
reevesianine b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041985
Tcmid
18554
Pub Chem
86150909
Tcmbank
TCMBANKIN048668
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H15NO3/c1-18-15-8-7-13(21-2)9-14(15)17(20)10-16(18)11-3-5-12(19)6-4-11/h3-10,19H,1-2H3
Mol Wt
281.311
Smiles
CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=C(C=C3)O
Mol Log P
2.919700000000002
In Ch Ikey
COFCROPUZBFJMG-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/18569.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.785
Num Hacceptors
4
Isomeric Smiles
CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=C(C=C3)O
Canonical Smiles
CN1C2=C(C=C(C=C2)OC)C(=O)C=C1C3=CC=C(C=C3)O
Molecular Formula
C17H15NO3
Molecular Formula
C17H15NO3
Num Rotatable Bonds
2