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
- 27790
- Core Entity Id
- 34072
- Source Entity Count
- 1
- Preferred Name
- Nobilomethylene
- Name En
- Pubchem Id
- 11064768
- Smiles Canonical
- CC(C)C1C2C3CCC(=C)C3(C(=O)C1OC2=O)C
- Molecular Formula
- C15H20O3
- Molecular Weight
- 248.3220
- Inchikey
- AFKMPTKEDFWMES-RSPOJEKHSA-N
- Inchi
- InChI=1S/C15H20O3/c1-7(2)10-11-9-6-5-8(3)15(9,4)13(16)12(10)18-14(11)17/h7,9-12H,3,5-6H2,1-2,4H3/t9-,10-,11+,12+,15-/m0/s1
- Isomeric Smiles
- CC(C)[C@H]1[C@H]2[C@@H]3CCC(=C)[C@@]3(C(=O)[C@@H]1OC2=O)C
- Cas Id
- 38750-01-5
- Ob Score
- Mol Logp
- 2.3554
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nobilomethylene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Nobilomethylene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Nobilomethylene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nobilomethylene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nobilomethylene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nobilomethylene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
石斛
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHI HU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Noble Dendrobium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
石斛SHI HUNoble Dendrobium
Cross References
Trusted external identifiers retained for this final record.
Cas
38750-01-5
Herb
HBIN037176
Npass
NPC60762
Tcmid
15630
Sym Map
SMIT25734
Tcm Id
2260
Pub Chem
11064768
Tcmbank
TCMBANKIN048058
Etcm Ingredient
Nobilomethylene
Itcmdb Generated
ITX-INGREDIENT-688EF1F3E211ITX-INGREDIENT-7BFA73E55ECA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H20O3/c1-7(2)10-11-9-6-5-8(3)15(9,4)13(16)12(10)18-14(11)17/h7,9-12H,3,5-6H2,1-2,4H3/t9-,10-,11+,12+,15-/m0/s1
Mol Wt
248.3219999999999
Cas Id
38750-01-5
Mol Log P
2.3554
Version
v2
In Ch Ikey
AFKMPTKEDFWMES-RSPOJEKHSA-N
Suppress
0
Tcm Name
石斛
Tcm Name2
SHI HU
Mol2 Path
/TCM_database/2007_3d_all/15639.mol2
Reference
2683
Num Hdonors
0
Tcm Name En
Noble Dendrobium
Drug Likeness
0.528
Num Hacceptors
3
Isomeric Smiles
CC(C)[C@H]1[C@H]2[C@@H]3CCC(=C)[C@@]3(C(=O)[C@@H]1OC2=O)C
Canonical Smiles
CC(C)C1C2C3CCC(=C)C3(C(=O)C1OC2=O)C
Molecular Weight
248.140
Molecular Weight
248.32
Molecular Formula
C15H20O3
Molecular Formula
C15H20O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.133
Quantitative Estimate Of Drug Likeness（Qed）
0.528