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
- 24863
- Core Entity Id
- 30830
- Source Entity Count
- 1
- Preferred Name
- Lonicerine
- Name En
- Pubchem Id
- 101600051
- Smiles Canonical
- CC=C1CNC2CC1C(C34C2(NC5=CC=CC=C53)OCC4)(CO)C(=O)OC
- Molecular Formula
- C21H26N2O4
- Molecular Weight
- 370.4490
- Inchikey
- OQJSSGHGITUGKL-QLKAYGNNSA-N
- Inchi
- InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+
- Isomeric Smiles
- C/C=C/1\CNC2CC1C(C34C2(NC5=CC=CC=C53)OCC4)(CO)C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.5562
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lonicerine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lonicerine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lonicerine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
红花蕊木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG HUA RUI MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Redflower Kopsia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
16-Epiaspidodasycarpine
Role
alias
Source
HERB_v2
Preferred
No
Name
16-Epiaspidodasycarpine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2.alpha.,16S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2.alpha.,16S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
C17557
Role
alias
Source
itcmdb_public
Preferred
No
Name
C17557
Role
alias
Source
HERB_v2
Preferred
No
Name
OQJSSGHGITUGKL-QLKAYGNNSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
OQJSSGHGITUGKL-QLKAYGNNSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (13Z)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (13Z)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红花蕊木HONG HUA RUI MURedflower Kopsia16-Epiaspidodasycarpine4,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2.alpha.,16S)-C17557OQJSSGHGITUGKL-QLKAYGNNSA-Nmethyl (13Z)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033544
Tcmid
12982
Pub Chem
1016000515370086
Tcmbank
TCMBANKIN041083
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+
Mol Wt
370.4490000000002
Mol Log P
1.5562
In Ch Ikey
OQJSSGHGITUGKL-QLKAYGNNSA-N
Tcm Name
红花蕊木
Tcm Name2
HONG HUA RUI MU
Mol2 Path
/TCM_database/2007_3d_all/12988.mol2
Reference
3830
Num Hdonors
3
Tcm Name En
Redflower Kopsia
Drug Likeness
0.542
Num Hacceptors
6
Isomeric Smiles
C/C=C/1\CNC2CC1C(C34C2(NC5=CC=CC=C53)OCC4)(CO)C(=O)OC
Canonical Smiles
CC=C1CNC2CC1C(C34C2(NC5=CC=CC=C53)OCC4)(CO)C(=O)OC
Herb Alias Names
16-EpiaspidodasycarpineOQJSSGHGITUGKL-QLKAYGNNSA-NC175574,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2.alpha.,16S)-methyl (13Z)-13-ethylidene-15-(hydroxymethyl)-18-oxa-8,11-diazapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6-triene-15-carboxylate
Molecular Weight
370.4 g/mol
Molecular Formula
C21H26N2O4
Num Rotatable Bonds
2