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
- 27784
- Core Entity Id
- 34065
- Source Entity Count
- 1
- Preferred Name
- N-nornantenine
- Name En
- Pubchem Id
- 3084228
- Smiles Canonical
- COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)NCCC3=C1)OC
- Molecular Formula
- C19H19NO4
- Molecular Weight
- 325.3640
- Inchikey
- JWXKBCGJLCEZTJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3
- Isomeric Smiles
- COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)NCCC3=C1)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.8424
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.9200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Nornantenine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-Nornantenine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-nornantenine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-nornantenine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
南天竹梗
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NAN TIAN ZHU GENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Nandina Stem
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
15401-66-8
Role
alias
Source
HERB_v2
Preferred
No
Name
15401-66-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo(10.7.1.02,10.04,8.016,20)icosa-1(20),2,4(8),9,16,18-hexaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0^{2,10}.0^{4,8}.0^{16,20}]icosa-1(20),2,4(8),9,16,18-hexaene
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nornantenine
Role
alias
Source
HERB_v2
Preferred
No
Name
Nornantenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6689417
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6689417
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
南天竹梗NAN TIAN ZHU GENGCommon Nandina Stem15401-66-818,19-dimethoxy-5,7-dioxa-13-azapentacyclo(10.7.1.02,10.04,8.016,20)icosa-1(20),2,4(8),9,16,18-hexaene18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0^{2,10}.0^{4,8}.0^{16,20}]icosa-1(20),2,4(8),9,16,18-hexaene4H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (S)-NornantenineSCHEMBL6689417
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037168
Tcmid
15770
Pub Chem
3084228
Tcmbank
TCMBANKIN038424
Etcm Ingredient
N-Nornantenine
Itcmdb Generated
ITX-INGREDIENT-49B2B3613924
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3
Mol Wt
325.3640000000001
Mol Log P
2.842400000000001
In Ch Ikey
JWXKBCGJLCEZTJ-UHFFFAOYSA-N
Tcm Name
南天竹梗
Tcm Name2
NAN TIAN ZHU GENG
Mol2 Path
/TCM_database/2007_3d_all/15779.mol2
Reference
2732, 2733, 5424
Num Hdonors
1
Tcm Name En
Common Nandina Stem
Drug Likeness
0.92
Num Hacceptors
5
Isomeric Smiles
COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)NCCC3=C1)OC
Canonical Smiles
COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)NCCC3=C1)OC
Herb Alias Names
Nornantenine15401-66-84H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0^{2,10}.0^{4,8}.0^{16,20}]icosa-1(20),2,4(8),9,16,18-hexaene18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene(+)-Nornantenine18,19-dimethoxy-5,7-dioxa-13-azapentacyclo(10.7.1.0^(2,10).0^(4,8).0^(16,20))icosa-1(20),2,4(8),9,16,18-hexaene18,19-dimethoxy-5,7-dioxa-13-azapentacyclo(10.7.1.02,10.04,8.016,20)icosa-1(20),2,4(8),9,16,18-hexaeneSCHEMBL6689417
Molecular Weight
325.130
Molecular Weight
325.4 g/mol
Molecular Formula
C19H19NO4
Molecular Formula
C19H19NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.933
Quantitative Estimate Of Drug Likeness（Qed）
0.920