Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 5Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28292
- Core Entity Id
- 34634
- Source Entity Count
- 1
- Preferred Name
- Odorine
- Name En
- Pubchem Id
- 23242585
- Smiles Canonical
- CCC(C)C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2
- Molecular Formula
- C18H24N2O2
- Molecular Weight
- 300.4020
- Inchikey
- KZAOEMMZRGEBST-IXVOVUJJSA-N
- Inchi
- InChI=1S/C18H24N2O2/c1-3-14(2)18(22)19-16-10-7-13-20(16)17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,14,16H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t14-,16+/m0/s1
- Isomeric Smiles
- CC[C@H](C)C(=O)N[C@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 2.8106
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Odorine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Odorine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Odorine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
银色米仔兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN SE MI ZI LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Argenti Aglaia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
72755-20-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
72755-20-5
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762138
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762138
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL521297
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL521297
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID001127316
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID001127316
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8995
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8995
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2198I12
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2198I12
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3155
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3155
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS002472967
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS002472967
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00247460-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00247460-01
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
银色米仔兰YIN SE MI ZI LANArgenti Aglaia*72755-20-5AKOS040762138CHEMBL521297DTXSID001127316FS-8995HMS2198I12HY-N3155MLS002472967NCGC00247460-01
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037843
Tcmid
15992
Pub Chem
2324258557369849
Tcmbank
TCMBANKIN038510
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H24N2O2/c1-3-14(2)18(22)19-16-10-7-13-20(16)17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,14,16H,3,7,10,13H2,1-2H3,(H,19,22)/b12-11+/t14-,16+/m0/s1
Mol Wt
300.402
Mol Log P
2.810600000000002
In Ch Ikey
KZAOEMMZRGEBST-IXVOVUJJSA-N
Tcm Name
银色米仔兰
Tcm Name2
YIN SE MI ZI LAN
Mol2 Path
/TCM_database/2007_3d_all/16002.mol2
Reference
2814, 2815, 2816, 2817, 2818, 4127
Num Hdonors
1
Tcm Name En
Argenti Aglaia*
Drug Likeness
0.85
Num Hacceptors
2
Isomeric Smiles
CC[C@H](C)C(=O)N[C@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2
Canonical Smiles
CCC(C)C(=O)NC1CCCN1C(=O)C=CC2=CC=CC=C2
Herb Alias Names
72755-20-5MLS002472967CHEMBL521297DTXSID001127316HMS2198I12HY-N3155AKOS040762138FS-8995NCGC00247460-01
Molecular Weight
300.4 g/mol
Molecular Formula
C18H24N2O2
Num Rotatable Bonds
5