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: 3Ingredient: 1Target: 3Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26393
- Core Entity Id
- 32527
- Source Entity Count
- 1
- Preferred Name
- Methyl trametenolate
- Name En
- Pubchem Id
- 101280194
- Smiles Canonical
- CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)OC)C
- Molecular Formula
- C31H50O3
- Molecular Weight
- 470.7380
- Inchikey
- DZGFGFULCQNZTI-OXUZYLMNSA-N
- Inchi
- InChI=1S/C31H50O3/c1-20(2)10-9-11-21(27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h10,21-22,25-26,32H,9,11-19H2,1-8H3/t21-,22-,25+,26+,29-,30-,31+/m1/s1
- Isomeric Smiles
- CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)OC)C
- Cas Id
- Ob Score
- 42.8795
- Mol Logp
- 7.6322
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl Trametenolate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl trametenolate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methyl trametenolate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methyl trametenolate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methyl trametenolate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
methyl trametenolate
Role
alias
Source
TCMBank
Preferred
No
Name
豹皮菇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAO PI GU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Pardleather-like Mushroom
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
豹皮菇BAO PI GUPardleather-like Mushroom
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035444
Tcmid
14758
Tcmsp
MOL008622
Sym Map
SMIT01237
Pub Chem
101280194
Tcmbank
TCMBANKIN032992TCMBANKIN053352
Etcm Ingredient
Methyl trametenolate
Itcmdb Generated
ITX-INGREDIENT-6ED81C643DC3ITX-INGREDIENT-43B8E73957F1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C31H50O3/c1-20(2)10-9-11-21(27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h10,21-22,25-26,32H,9,11-19H2,1-8H3/t21-,22-,25+,26+,29-,30-,31+/m1/s1
Mol Wt
470.7380000000003
Smiles
CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)OC)C
Mol Log P
7.632200000000009
Version
v1,v2
In Ch Ikey
DZGFGFULCQNZTI-OXUZYLMNSA-N
Ob Score
42.87952842.87952837999999642.88
Suppress
0
Tcm Name
豹皮菇
Tcm Name2
BAO PI GU
Mol2 Path
/TCM_database/2003_3d_all/5876.mol2
Reference
1501
Num Hdonors
1
Tcm Name En
Pardleather-like Mushroom
Drug Likeness
0.332
Num Hacceptors
3
Isomeric Smiles
CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)OC)C
Molecule Weight
470.81
Canonical Smiles
CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)OC)C
Molecular Weight
470.380
Molecular Weight
470.7 g/mol
Molecule Formula
C31H50O3
Molecular Formula
C31H50O3
Molecular Formula
C31H50O3
Molecular Formula
C31H50O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.905
Quantitative Estimate Of Drug Likeness（Qed）
0.332