ITCMDBv1
IngredientID 27893

(?)-nordicentrine

C19H19NO4

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 3Ingredient: 1Links: 3
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
27893
Core Entity Id
34188
Source Entity Count
1
Preferred Name
(?)-nordicentrine
Name En
Pubchem Id
10336429
Smiles Canonical
COC1=C(C=C2C(=C1)CC3C4=C2C5=C(C=C4CCN3)OCO5)OC
Molecular Formula
C19H19NO4
Molecular Weight
325.3640
Inchikey
YNWJEUJZYKLCJG-CYBMUJFWSA-N
Inchi
InChI=1S/C19H19NO4/c1-21-14-7-11-5-13-17-10(3-4-20-13)6-16-19(24-9-23-16)18(17)12(11)8-15(14)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m0/s1
Isomeric Smiles
COC1=C(C=C2C(=C1)C[C@@H]3C4=C2C5=C(C=C4CCN3)OCO5)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
(-)-nordicentrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-nordicentrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(?)-nordicentrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
治理千金藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
黑木姜子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Litsea salicifolia
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
ZHI LI QIAN JIN TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Erect Stephania*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-nordicentrine
Role
alias
Source
TCMBank
Preferred
No
Name
(12R)-16,17-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Role
alias
Source
HERB_v2
Preferred
No
Name
(12R)-16,17-dimethoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14,16,18-hexaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
151601-88-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
151601-88-6
Role
alias
Source
HERB_v2
Preferred
No
Name
25394-59-6
Role
alias
Source
HERB_v2
Preferred
No
Name
25394-59-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
9POY24CU2Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
9POY24CU2Y
Role
alias
Source
HERB_v2
Preferred
No
Name
ACTINODAPHNINE METHYL ETHER
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACTINODAPHNINE METHYL ETHER
Role
alias
Source
HERB_v2
Preferred
No
Name
ACTINODAPHNINE METHYL ETHER [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACTINODAPHNINE METHYL ETHER [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL518744
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL518744
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70180045
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70180045
Role
alias
Source
HERB_v2
Preferred
No
Name
N-NORDICENTRINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-NORDICENTRINE
Role
alias
Source
HERB_v2
Preferred
No
Name
Nordicentrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nordicentrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27272872
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27272872
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9POY24CU2Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-9POY24CU2Y
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(-)-nordicentrine治理千金藤黑木姜子Litsea salicifoliaZHI LI QIAN JIN TENGErect Stephania*(+)-nordicentrine(12R)-16,17-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene(12R)-16,17-dimethoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14,16,18-hexaene151601-88-625394-59-69POY24CU2YACTINODAPHNINE METHYL ETHERACTINODAPHNINE METHYL ETHER [MI]CHEMBL518744DTXSID70180045N-NORDICENTRINENordicentrineQ27272872UNII-9POY24CU2Y

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN037318HBIN037319HBIN037320
Npass
NPC6152
Tcmid
157291573035589
Pub Chem
10336429168363
Tcmbank
TCMBANKIN004564TCMBANKIN037041TCMBANKIN061535
Itcmdb Generated
ITX-INGREDIENT-0B6982166B6AITX-INGREDIENT-C303DD914A55

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C19H19NO4/c1-21-14-7-11-5-13-17-10(3-4-20-13)6-16-19(24-9-23-16)18(17)12(11)8-15(14)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m0/s1InChI=1S/C19H19NO4/c1-21-14-7-11-5-13-17-10(3-4-20-13)6-16-19(24-9-23-16)18(17)12(11)8-15(14)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m1/s1
Mol Wt
325.3640000000001
Smiles
COC1=C(C=C2C(=C1)CC3C4=C2C5=C(C=C4CCN3)OCO5)OC
Mol Log P
2.8424
In Ch Ikey
YNWJEUJZYKLCJG-CYBMUJFWSA-NYNWJEUJZYKLCJG-ZDUSSCGKSA-N
Tcm Name
治理千金藤黑木姜子
Tcm Name2
Litsea salicifoliaZHI LI QIAN JIN TENG
Mol2 Path
/TCM_database/2007_3d_all/15738.mol2/TCM_database/2007_3d_all/15739.mol2
Reference
1521, 27182719
Num Hdonors
1
Tcm Name En
Erect Stephania*
Drug Likeness
0.92
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=C2C(=C1)C[C@@H]3C4=C2C5=C(C=C4CCN3)OCO5)OCCOC1=C(C=C2C(=C1)C[C@H]3C4=C2C5=C(C=C4CCN3)OCO5)OC
Canonical Smiles
COC1=C(C=C2C(=C1)CC3C4=C2C5=C(C=C4CCN3)OCO5)OC
Herb Alias Names
(12R)-16,17-Dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene(12R)-16,17-dimethoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14,16,18-hexaeneCHEMBL518744151601-88-6
Molecular Formula
C19H19NO4
Molecular Formula
C19H19NO4
Num Rotatable Bonds
2