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
- 31741
- Core Entity Id
- 38469
- Source Entity Count
- 1
- Preferred Name
- Rescinnaminol
- Name En
- Pubchem Id
- 26790410
- Smiles Canonical
- CC1=CC(=NC2=CC=CC=C12)NN=CC(C(C(CO)O)O)O
- Molecular Formula
- C15H19N3O4
- Molecular Weight
- 305.3340
- Inchikey
- UYCJUTRDPQGBNI-CCNLRKQWSA-N
- Inchi
- InChI=1S/C15H19N3O4/c1-9-6-14(17-11-5-3-2-4-10(9)11)18-16-7-12(20)15(22)13(21)8-19/h2-7,12-13,15,19-22H,8H2,1H3,(H,17,18)/b16-7-/t12-,13+,15+/m1/s1
- Isomeric Smiles
- CC1=CC(=NC2=CC=CC=C12)N/N=C\[C@H]([C@@H]([C@H](CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.0159
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rescinnaminol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rescinnaminol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rescinnaminol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
rescinnaminol
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042092
Tcmid
18616
Pub Chem
26790410
Tcmbank
TCMBANKIN047048
Etcm Ingredient
Rescinnaminol
Itcmdb Generated
ITX-INGREDIENT-8D1036637858
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H19N3O4/c1-9-6-14(17-11-5-3-2-4-10(9)11)18-16-7-12(20)15(22)13(21)8-19/h2-7,12-13,15,19-22H,8H2,1H3,(H,17,18)/b16-7-/t12-,13+,15+/m1/s1
Mol Wt
305.334
Smiles
CC1=CC(=NC2=CC=CC=C12)NN=CC(C(C(CO)O)O)O
Mol Log P
0.01591999999999894
In Ch Ikey
UYCJUTRDPQGBNI-CCNLRKQWSA-N
Mol2 Path
/TCM_database/2007_3d_all/18631.mol2
Reference
660, 1521
Num Hdonors
5
Drug Likeness
0.379
Num Hacceptors
7
Isomeric Smiles
CC1=CC(=NC2=CC=CC=C12)N/N=C\[C@H]([C@@H]([C@H](CO)O)O)O
Canonical Smiles
CC1=CC(=NC2=CC=CC=C12)NN=CC(C(C(CO)O)O)O
Molecular Weight
305.140
Molecular Formula
C15H19N3O4
Molecular Formula
C15H19N3O4
Molecular Formula
C15H19N3O4
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.446