Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28293
- Core Entity Id
- 34635
- Source Entity Count
- 1
- Preferred Name
- (+)-odorinol
- Name En
- Pubchem Id
- 6440456
- Smiles Canonical
- CCC(C)(C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2)O
- Molecular Formula
- C18H24N2O3
- Molecular Weight
- 316.4010
- Inchikey
- ZSSIVXBCHJDPDR-IHUUNXMQSA-N
- Inchi
- InChI=1S/C18H24N2O3/c1-3-18(2,23)17(22)19-15-10-7-13-20(15)16(21)12-11-14-8-5-4-6-9-14/h4-6,8-9,11-12,15,23H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t15-,18+/m1/s1
- Isomeric Smiles
- CC[C@@](C)(C(=O)N[C@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9255
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-Odorinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-odorinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-odorinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-odorinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S)-2-Hydroxy-2-methyl-N-[(2R)-1-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-2-pyrrolidinyl]butanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-Hydroxy-2-methyl-N-[(2R)-1-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-2-pyrrolidinyl]butanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-hydroxy-2-methyl-N-[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-hydroxy-2-methyl-N-[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-N-(1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl)butanimidate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-N-(1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl)butanimidate
Role
alias
Source
itcmdb_public
Preferred
No
Name
72755-22-7
Role
alias
Source
HERB_v2
Preferred
No
Name
72755-22-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948576
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948576
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanamide, 2-hydroxy-2-methyl-N-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (S-(R*,S*-(E)))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanamide, 2-hydroxy-2-methyl-N-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (S-(R*,S*-(E)))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3154
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3154
Role
alias
Source
itcmdb_public
Preferred
No
Name
Odorinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Odorinol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-Hydroxy-2-methyl-N-[(2R)-1-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-2-pyrrolidinyl]butanamide(2S)-2-hydroxy-2-methyl-N-[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide2-Methyl-N-(1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl)butanimidate72755-22-7AKOS032948576Butanamide, 2-hydroxy-2-methyl-N-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (S-(R*,S*-(E)))-HY-N3154Odorinol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037844
Npass
NPC161719
Tcmid
15993
Pub Chem
6440456
Tcmbank
TCMBANKIN049802
Etcm Ingredient
(+)-Odorinol
Itcmdb Generated
ITX-INGREDIENT-887A46433168
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H24N2O3/c1-3-18(2,23)17(22)19-15-10-7-13-20(15)16(21)12-11-14-8-5-4-6-9-14/h4-6,8-9,11-12,15,23H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t15-,18+/m1/s1
Mol Wt
316.401
Smiles
CCC(C)(C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2)O
Mol Log P
1.9255
In Ch Ikey
ZSSIVXBCHJDPDR-IHUUNXMQSA-N
Mol2 Path
/TCM_database/2007_3d_all/16003.mol2
Reference
2814, 2952
Num Hdonors
2
Drug Likeness
0.816
Num Hacceptors
3
Isomeric Smiles
CC[C@@](C)(C(=O)N[C@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2)O
Canonical Smiles
CCC(C)(C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2)O
Herb Alias Names
Odorinol72755-22-7(2S)-2-hydroxy-2-methyl-N-[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamideButanamide, 2-hydroxy-2-methyl-N-(1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl)-, (S-(R*,S*-(E)))-2-Methyl-N-(1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl)butanimidate2-Methyl-N-[1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl]butanimidate(2S)-2-hydroxy-2-methyl-N-((2R)-1-((E)-3-phenylprop-2-enoyl)pyrrolidin-2-yl)butanamideButanamide, 2-hydroxy-2-methyl-N-[1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl]-, [S-[R*,S*-(E)]]-(2S)-2-Hydroxy-2-methyl-N-[(2R)-1-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-2-pyrrolidinyl]butanamideHY-N3154AKOS032948576
Molecular Weight
316.180
Molecular Weight
316.4 g/mol
Molecular Formula
C18H24N2O3
Molecular Formula
C18H24N2O3
Molecular Formula
C18H24N2O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.291
Quantitative Estimate Of Drug Likeness（Qed）
0.816