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
- 30907
- Core Entity Id
- 37537
- Source Entity Count
- 1
- Preferred Name
- Pseuduvarine b
- Name En
- Pubchem Id
- 53350138
- Smiles Canonical
- CN1C2=CC3=CC=CC=C3C4=C2C(=C(C(=C4OC)OC)N)C(=O)C1=O
- Molecular Formula
- C19H16N2O4
- Molecular Weight
- 336.3470
- Inchikey
- DECOIJXMXXMADL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H16N2O4/c1-21-11-8-9-6-4-5-7-10(9)12-13(11)14(16(22)19(21)23)15(20)18(25-3)17(12)24-2/h4-8H,20H2,1-3H3
- Isomeric Smiles
- CN1C2=CC3=CC=CC=C3C4=C2C(=C(C(=C4OC)OC)N)C(=O)C1=O
- Cas Id
- Ob Score
- Mol Logp
- 2.7515
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pseuduvarine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pseuduvarine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pseuduvarine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041089
Npass
NPC135182
Tcmid
35602
Pub Chem
53350138
Tcmbank
TCMBANKIN006621
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H16N2O4/c1-21-11-8-9-6-4-5-7-10(9)12-13(11)14(16(22)19(21)23)15(20)18(25-3)17(12)24-2/h4-8H,20H2,1-3H3
Mol Wt
336.347
Smiles
CN1C2=CC3=CC=CC=C3C4=C2C(=C(C(=C4OC)OC)N)C(=O)C1=O
Mol Log P
2.7515
In Ch Ikey
DECOIJXMXXMADL-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.442
Num Hacceptors
5
Isomeric Smiles
CN1C2=CC3=CC=CC=C3C4=C2C(=C(C(=C4OC)OC)N)C(=O)C1=O
Canonical Smiles
CN1C2=CC3=CC=CC=C3C4=C2C(=C(C(=C4OC)OC)N)C(=O)C1=O
Molecular Weight
336.3 g/mol
Molecular Formula
C19H16N2O4
Molecular Formula
C19H16N2O4
Num Rotatable Bonds
2