Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73854
- Core Entity Id
- 136503
- Source Entity Count
- 1
- Preferred Name
- NADPH
- Name En
- Pubchem Id
- 5884
- Smiles Canonical
- C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O
- Molecular Formula
- C21H30N7O17P3
- Molecular Weight
- 745.0900
- Inchikey
- ACFIXJIJDZMPPO-NNYOXOHSSA-N
- Inchi
- InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -6.8000
- Num H Donors
- 9
- Num H Acceptors
- 22
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 364.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
NADPH
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
NADPH
Itcmdb Generated
ITX-INGREDIENT-E745BF257274
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
745.090
Molecular Formula
C21H30N7O17P3
Fda Maximum Daily Dose (Fdamdd)
0.951
Quantitative Estimate Of Drug Likeness（Qed）
0.107