Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 2Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34757
- Core Entity Id
- 41823
- Source Entity Count
- 1
- Preferred Name
- Tazettine
- Name En
- Pubchem Id
- 11873227
- Smiles Canonical
- CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
- Molecular Formula
- C18H21NO5
- Molecular Weight
- 331.3680
- Inchikey
- YLWAQARRNQVEHD-PBZHRCKQSA-N
- Inchi
- InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18-/m1/s1
- Isomeric Smiles
- CN1C[C@@]2([C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1608
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tazettine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tazettine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tazettine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
tazettine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Tazettine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Tazettine
Role
alias
Source
HERB_v2
Preferred
No
Name
Sekisanin
Role
alias
Source
HERB_v2
Preferred
No
Name
Sekisanin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sekisanine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sekisanine
Role
alias
Source
HERB_v2
Preferred
No
Name
Sekisanolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sekisanolin
Role
alias
Source
HERB_v2
Preferred
No
Name
Sekisanoline
Role
alias
Source
HERB_v2
Preferred
No
Name
Sekisanoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tazetine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tazetine
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-76WEU12CSO
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-76WEU12CSO
Role
alias
Source
HERB_v2
Preferred
No
Name
Ungernin
Role
alias
Source
HERB_v2
Preferred
No
Name
Ungernin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ungernine
Role
alias
Source
HERB_v2
Preferred
No
Name
Ungernine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-TazettineSekisaninSekisanineSekisanolinSekisanolineTazetineUNII-76WEU12CSOUngerninUngernine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045804
Tcmid
20875
Tcm Id
25004611
Pub Chem
118732275321780
Tcmbank
TCMBANKIN017816
Etcm Ingredient
Tazettine
Itcmdb Generated
ITX-INGREDIENT-3501782EE9C7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18-/m1/s1
Mol Wt
331.3680000000001
Smiles
CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
Mol Log P
1.1608
In Ch Ikey
YLWAQARRNQVEHD-PBZHRCKQSA-N
Num Hdonors
1
Drug Likeness
0.78
Num Hacceptors
6
Isomeric Smiles
CN1C[C@@]2([C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
Canonical Smiles
CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
Herb Alias Names
SekisanolinSekisanolineUngernine(+)-TazettineTazetineUngerninSekisanineSekisaninUNII-76WEU12CSO
Molecular Weight
331.140
Molecular Weight
331.4 g/mol
Molecular Formula
C18H21NO5
Molecular Formula
C18H21NO5
Molecular Formula
C18H21NO5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.921
Quantitative Estimate Of Drug Likeness（Qed）
0.780