Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 10Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15709
- Core Entity Id
- 20628
- Source Entity Count
- 1
- Preferred Name
- Cyclic adenosine 3',5'-monophosphate(camp)
- Name En
- Pubchem Id
- 93482395
- Smiles Canonical
- CC(=O)OCOP1(=O)OCC2C(O1)C(C(O2)N3C=NC4=C(N=CN=C43)N)O
- Molecular Formula
- C13H16N5O8P
- Molecular Weight
- 401.2720
- Inchikey
- USKCKKDBQFHVEK-MMUXHLTASA-N
- Inchi
- InChI=1S/C13H16N5O8P/c1-6(19)22-5-24-27(21)23-2-7-10(26-27)9(20)13(25-7)18-4-17-8-11(14)15-3-16-12(8)18/h3-4,7,9-10,13,20H,2,5H2,1H3,(H2,14,15,16)/t7-,9-,10-,13-,27+/m1/s1
- Isomeric Smiles
- CC(=O)OCO[P@]1(=O)OC[C@@H]2[C@@H](O1)[C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O
- Cas Id
- Ob Score
- 9.0498
- Mol Logp
- -0.2725
- Num H Donors
- 2
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclic Adenosine 3',5'-Monophosphate(Camp)
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cyclic Adenosine 3',5'-Monophosphate(Camp)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cyclic adenosine 3',5'-monophosphate(camp)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cyclic adenosine 3',5'-monophosphate(camp)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cyclic adenosine 3',5'-monophosphate(cAMP)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cyclic adenosine 3',5'-monophosphate(cAMP)
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022097
Tcmsp
MOL001523
Sym Map
SMIT03926
Pub Chem
93482395
Tcmbank
TCMBANKIN030304
Etcm Ingredient
cyclic adenosine 3',5'-monophosphate(cAMP)
Itcmdb Generated
ITX-INGREDIENT-3C764D6B584E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H16N5O8P/c1-6(19)22-5-24-27(21)23-2-7-10(26-27)9(20)13(25-7)18-4-17-8-11(14)15-3-16-12(8)18/h3-4,7,9-10,13,20H,2,5H2,1H3,(H2,14,15,16)/t7-,9-,10-,13-,27+/m1/s1
Mol Wt
401.2720000000001
Mol Log P
-0.2725
Version
v1,v2
In Ch Ikey
USKCKKDBQFHVEK-MMUXHLTASA-N
Ob Score
9.0497795499.049789.05
Suppress
0
Num Hdonors
2
Drug Likeness
0.391
Num Hacceptors
13
Isomeric Smiles
CC(=O)OCO[P@]1(=O)OC[C@@H]2[C@@H](O1)[C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O
Molecule Weight
401.31
Canonical Smiles
CC(=O)OCOP1(=O)OCC2C(O1)C(C(O2)N3C=NC4=C(N=CN=C43)N)O
Molecular Weight
401.070
Molecular Weight
401.31
Molecular Formula
C13H16N5O8P
Molecular Formula
C13H16N5O8P
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.737
Quantitative Estimate Of Drug Likeness（Qed）
0.346