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
- 33368
- Core Entity Id
- 40282
- Source Entity Count
- 1
- Preferred Name
- Sinactine
- Name En
- Pubchem Id
- 5321317
- Smiles Canonical
- COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)OC
- Molecular Formula
- C20H21NO4
- Molecular Weight
- 339.3910
- Inchikey
- UWEHVAXMSWXKRW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
- Isomeric Smiles
- COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.0880
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sinactine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sinactine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sinactine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
sinactine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
sinactine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+-)-Sinactine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+-)-Sinactine
Role
alias
Source
itcmdb_public
Preferred
No
Name
12H-Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine, 6,6a,11,14-tetrahydro-8,9-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
12H-Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine, 6,6a,11,14-tetrahydro-8,9-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene
Role
alias
Source
HERB_v2
Preferred
No
Name
16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
38853-67-7
Role
alias
Source
HERB_v2
Preferred
No
Name
38853-67-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,6a,11,14-Tetrahydro-8,9-dimethoxy-12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine
Role
alias
Source
HERB_v2
Preferred
No
Name
6,6a,11,14-Tetrahydro-8,9-dimethoxy-12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epiberberine, tetrahydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epiberberine, tetrahydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Sinactin
Role
alias
Source
HERB_v2
Preferred
No
Name
Sinactin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetrahydroepiberberine
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetrahydroepiberberine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetrahydroepiberberine, Sinactine
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetrahydroepiberberine, Sinactine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+-)-Sinactine12H-Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine, 6,6a,11,14-tetrahydro-8,9-dimethoxy-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene38853-67-76,6a,11,14-Tetrahydro-8,9-dimethoxy-12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizineEpiberberine, tetrahydro-SinactinTetrahydroepiberberineTetrahydroepiberberine, Sinactine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044056
Npass
NPC326205
Tcmid
19892
Sym Map
SMIT26807
Pub Chem
5321317
Tcmbank
TCMBANKIN021953
Etcm Ingredient
sinactine
Itcmdb Generated
ITX-INGREDIENT-0E1A1FEC00A4ITX-INGREDIENT-489DB8E853C7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
Mol Wt
339.3910000000001
Smiles
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)OC
Mol Log P
3.088000000000002
Version
v2
In Ch Ikey
UWEHVAXMSWXKRW-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.841
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)OC
Canonical Smiles
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)OC
Herb Alias Names
Tetrahydroepiberberine38853-67-7Sinactin(+-)-SinactineEpiberberine, tetrahydro-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaeneTetrahydroepiberberine, Sinactine12H-Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine, 6,6a,11,14-tetrahydro-8,9-dimethoxy-6,6a,11,14-Tetrahydro-8,9-dimethoxy-12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine
Molecular Weight
339.150
Molecular Weight
339.4 g/mol
Molecular Formula
C20H21NO4
Molecular Formula
C20H21NO4
Molecular Formula
C20H21NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.969
Quantitative Estimate Of Drug Likeness（Qed）
0.841