Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18285
- Core Entity Id
- 23501
- Source Entity Count
- 1
- Preferred Name
- Epinodosinol
- Name En
- Pubchem Id
- 168709
- Smiles Canonical
- CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(C5=C)O)C(=O)O2)O)C
- Molecular Formula
- C20H28O6
- Molecular Weight
- 364.4380
- Inchikey
- GVECAQZXEMZIGZ-OXUJBKPGSA-N
- Inchi
- InChI=1S/C20H28O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-16,21-23H,1,4-8H2,2-3H3/t10-,11-,12-,13+,14+,15+,16+,19?,20-/m0/s1
- Isomeric Smiles
- CC1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4[C@H](C[C@H]5CC4([C@@H](C5=C)O)C(=O)O2)O)C
- Cas Id
- Ob Score
- Mol Logp
- 0.9872
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Epinodosinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epinodosinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Epinodosinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Epinodosinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
毛叶香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO YE XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(4S,8R,9R,12S,13S,14S,16R,18R)-9,14,18-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4S,8R,9R,12S,13S,14S,16R,18R)-9,14,18-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
27548-88-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
27548-88-5
Role
alias
Source
HERB_v2
Preferred
No
Name
6,10,13-Trihydroxy-1,1-dimethyl-7-methylidenedodecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,10,13-Trihydroxy-1,1-dimethyl-7-methylidenedodecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-52948
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-52948
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10950224
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10950224
Role
alias
Source
itcmdb_public
Preferred
No
Name
Enmein, 1-deoxo-13-deoxy-1,5-dihydroxy-, (1alpha,5alpha)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Enmein, 1-deoxo-13-deoxy-1,5-dihydroxy-, (1alpha,5alpha)-
Role
alias
Source
HERB_v2
Preferred
No
Name
G88909
Role
alias
Source
HERB_v2
Preferred
No
Name
G88909
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛叶香茶菜MAO YE XIANG CHA CAIJapanese Rabdosia(4S,8R,9R,12S,13S,14S,16R,18R)-9,14,18-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-one27548-88-56,10,13-Trihydroxy-1,1-dimethyl-7-methylidenedodecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5-oneDA-52948DTXSID10950224Enmein, 1-deoxo-13-deoxy-1,5-dihydroxy-, (1alpha,5alpha)-G88909
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025392
Npass
NPC116433
Tcmid
6975
Pub Chem
168709
Tcmbank
TCMBANKIN043497
Etcm Ingredient
Epinodosinol
Itcmdb Generated
ITX-INGREDIENT-FA2B2BC49E08
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-16,21-23H,1,4-8H2,2-3H3/t10-,11-,12-,13+,14+,15+,16+,19?,20-/m0/s1
Mol Wt
364.4380000000001
Mol Log P
0.9871999999999999
In Ch Ikey
GVECAQZXEMZIGZ-OXUJBKPGSA-N
Tcm Name
毛叶香茶菜
Tcm Name2
MAO YE XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/06976.mol2
Reference
4067
Num Hdonors
3
Tcm Name En
Japanese Rabdosia
Drug Likeness
0.438
Num Hacceptors
6
Isomeric Smiles
CC1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4[C@H](C[C@H]5CC4([C@@H](C5=C)O)C(=O)O2)O)C
Canonical Smiles
CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(C5=C)O)C(=O)O2)O)C
Herb Alias Names
27548-88-5(4S,8R,9R,12S,13S,14S,16R,18R)-9,14,18-trihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-2-oneEnmein, 1-deoxo-13-deoxy-1,5-dihydroxy-, (1alpha,5alpha)-DTXSID10950224DA-52948G889096,10,13-Trihydroxy-1,1-dimethyl-7-methylidenedodecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5-one
Molecular Weight
364.190
Molecular Weight
364.4 g/mol
Molecular Formula
C20H28O6
Molecular Formula
C20H28O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.958
Quantitative Estimate Of Drug Likeness（Qed）
0.438