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
- 17133
- Core Entity Id
- 22213
- Source Entity Count
- 1
- Preferred Name
- Dihydroenmein
- Name En
- Pubchem Id
- 101588316
- Smiles Canonical
- CC1C2CCC3C(C2)(C1=O)C(=O)OC4C35COC(C5C(C(C4)O)(C)C)O
- Molecular Formula
- C20H28O6
- Molecular Weight
- 364.4380
- Inchikey
- XDIFXKVLMXAILB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H28O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h9-14,16,21,23H,4-8H2,1-3H3
- Isomeric Smiles
- CC1C2CCC3C(C2)(C1=O)C(=O)OC4C35COC(C5C(C(C4)O)(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2753
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydroenmein
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydroenmein
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydroenmein
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
dihydroenmein
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14237-76-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
14237-76-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2,13-Dihydroxy-1,1,7-trimethyldecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2,13-Dihydroxy-1,1,7-trimethyldecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,20-Dihydroenmein
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,20-Dihydroenmein
Role
alias
Source
HERB_v2
Preferred
No
Name
6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10931417
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10931417
Role
alias
Source
itcmdb_public
Preferred
No
Name
ENMEIN, DIHYDRO
Role
alias
Source
itcmdb_public
Preferred
No
Name
ENMEIN, DIHYDRO
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC376677
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC376677
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14237-76-42,13-Dihydroxy-1,1,7-trimethyldecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione2,20-Dihydroenmein6,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dioneDTXSID10931417ENMEIN, DIHYDRONSC376677
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023874
Tcmid
5604
Pub Chem
101588316435804
Tcmbank
TCMBANKIN034539
Etcm Ingredient
Dihydroenmein
Itcmdb Generated
ITX-INGREDIENT-0D13B58F6448
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h9-14,16,21,23H,4-8H2,1-3H3
Mol Wt
364.4380000000001
Smiles
CC1C2CCC3C(C2)(C1=O)C(=O)OC4C35COC(C5C(C(C4)O)(C)C)O
Mol Log P
1.2753
In Ch Ikey
XDIFXKVLMXAILB-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.497
Num Hacceptors
6
Isomeric Smiles
CC1C2CCC3C(C2)(C1=O)C(=O)OC4C35COC(C5C(C(C4)O)(C)C)O
Canonical Smiles
CC1C2CCC3C(C2)(C1=O)C(=O)OC4C35COC(C5C(C(C4)O)(C)C)O
Herb Alias Names
2,20-Dihydroenmein14237-76-46,9-dihydroxy-7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dioneNSC376677ENMEIN, DIHYDRODTXSID10931417NSC-3766772,13-Dihydroxy-1,1,7-trimethyldecahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione
Molecular Weight
394.240
Molecular Weight
364.4 g/mol
Molecular Formula
C22H34O6
Molecular Formula
C20H28O6
Molecular Formula
C20H28O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.967
Quantitative Estimate Of Drug Likeness（Qed）
0.497