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
- 13313
- Core Entity Id
- 17966
- Source Entity Count
- 1
- Preferred Name
- C-3-epiwilsonione
- Name En
- Pubchem Id
- 10360966
- Smiles Canonical
- COC1CC23C4=CC(=C(C=C4CCCN2C(=O)C5C3(O5)C=C1)OC)OC
- Molecular Formula
- C20H23NO5
- Molecular Weight
- 357.4060
- Inchikey
- POQQNJBRHJXAIN-KFLQCAKHSA-N
- Inchi
- InChI=1S/C20H23NO5/c1-23-13-6-7-20-17(26-20)18(22)21-8-4-5-12-9-15(24-2)16(25-3)10-14(12)19(20,21)11-13/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3/t13-,17-,19?,20-/m0/s1
- Isomeric Smiles
- CO[C@@H]1CC23C4=CC(=C(C=C4CCCN2C(=O)[C@H]5[C@@]3(O5)C=C1)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
C-3-Epiwilsonione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
C-3-Epiwilsonione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
C-3-epiwilsonione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
C-3-epiwilsonione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
台湾粗榧
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN CU FEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wilson Plumyew
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(13R,15R,18R)-4,5,18-Trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraen-12-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(13R,15R,18R)-4,5,18-Trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraen-12-one
Role
alias
Source
HERB_v2
Preferred
No
Name
C-3-epi-wilsonione
Role
alias
Source
itcmdb_public
Preferred
No
Name
C-3-epi-wilsonione
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL456524
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL456524
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾粗榧TAI WAN CU FEIWilson Plumyew(13R,15R,18R)-4,5,18-Trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraen-12-oneC-3-epi-wilsonioneCHEMBL456524
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019220
Npass
NPC481123
Tcmid
7042
Pub Chem
10360966
Tcmbank
TCMBANKIN043042
Etcm Ingredient
C-3-Epiwilsonione
Itcmdb Generated
ITX-INGREDIENT-F977318B7FE9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H23NO5/c1-23-13-6-7-20-17(26-20)18(22)21-8-4-5-12-9-15(24-2)16(25-3)10-14(12)19(20,21)11-13/h6-7,9-10,13,17H,4-5,8,11H2,1-3H3/t13-,17-,19?,20-/m0/s1
Mol Wt
357.4060000000001
Mol Log P
1.8
In Ch Ikey
POQQNJBRHJXAIN-KFLQCAKHSA-N
Tcm Name
台湾粗榧
Tcm Name2
TAI WAN CU FEI
Mol2 Path
/TCM_database/2007_3d_all/07043.mol2
Reference
4759
Num Hdonors
0
Tcm Name En
Wilson Plumyew
Drug Likeness
0.61
Num Hacceptors
5
Isomeric Smiles
CO[C@@H]1CC23C4=CC(=C(C=C4CCCN2C(=O)[C@H]5[C@@]3(O5)C=C1)OC)OC
Canonical Smiles
COC1CC23C4=CC(=C(C=C4CCCN2C(=O)C5C3(O5)C=C1)OC)OC
Herb Alias Names
C-3-epi-wilsonioneCHEMBL456524(13R,15R,18R)-4,5,18-Trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraen-12-one
Molecular Weight
357.160
Molecular Weight
357.4 g/mol
Molecular Formula
C20H23NO5
Molecular Formula
C20H23NO5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.906
Quantitative Estimate Of Drug Likeness（Qed）
0.610