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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26530
- Core Entity Id
- 32678
- Source Entity Count
- 1
- Preferred Name
- Modhephene
- Name En
- Pubchem Id
- 11030947
- Smiles Canonical
- CC1CCC23C1(CCC2)C(=CC3(C)C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3570
- Inchikey
- APGXRXFCBZKIAN-BYCMXARLSA-N
- Inchi
- InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14+,15-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@@]23[C@@]1(CCC2)C(=CC3(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.5591
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Modhephene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Modhephene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Modhephene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Modhephene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
高山火绒草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAO SHAN HUO RONG CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Alpine Edelweiss
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-Modhephene
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Modhephene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,5S,8R)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,5S,8R)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
68269-87-4
Role
alias
Source
HERB_v2
Preferred
No
Name
68269-87-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
APGXRXFCBZKIAN-BYCMXARLSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
APGXRXFCBZKIAN-BYCMXARLSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
Modephene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Modephene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
高山火绒草GAO SHAN HUO RONG CAOAlpine Edelweiss(-)-Modhephene(1R,5S,8R)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-68269-87-4APGXRXFCBZKIAN-BYCMXARLSA-NModephene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035607
Tcmid
14885
Pub Chem
1103094714060967
Tcmbank
TCMBANKIN042637
Etcm Ingredient
Modhephene
Itcmdb Generated
ITX-INGREDIENT-0F58E28C4961
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14+,15-/m1/s1
Mol Wt
204.357
Mol Log P
4.559100000000004
In Ch Ikey
APGXRXFCBZKIAN-BYCMXARLSA-N
Tcm Name
高山火绒草
Tcm Name2
GAO SHAN HUO RONG CAO
Mol2 Path
/TCM_database/2007_3d_all/14893.mol2
Reference
4985
Num Hdonors
0
Tcm Name En
Alpine Edelweiss
Drug Likeness
0.507
Num Hacceptors
0
Isomeric Smiles
C[C@@H]1CC[C@@]23[C@@]1(CCC2)C(=CC3(C)C)C
Canonical Smiles
CC1CCC23C1(CCC2)C(=CC3(C)C)C
Herb Alias Names
(-)-Modhephene68269-87-4Modephene(1R,5S,8R)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-APGXRXFCBZKIAN-BYCMXARLSA-N
Molecular Weight
204.190
Molecular Weight
204.35 g/mol
Molecular Formula
C15H24
Molecular Formula
C15H24
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.286
Quantitative Estimate Of Drug Likeness（Qed）
0.507