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
- 7040
- Core Entity Id
- 11006
- Source Entity Count
- 1
- Preferred Name
- 5-hydroxymatatabiether
- Name En
- Pubchem Id
- 5318260
- Smiles Canonical
- CC1COC2(C(CC1C2=C)O)C
- Molecular Formula
- C10H16O2
- Molecular Weight
- 168.2360
- Inchikey
- QZYDNGSONZSLGW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16O2/c1-6-5-12-10(3)7(2)8(6)4-9(10)11/h6,8-9,11H,2,4-5H2,1,3H3
- Isomeric Smiles
- CC1COC2(C(CC1C2=C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.3484
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Hydroxymatatabiether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-hydroxymatatabiether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxymatatabiether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-hydroxymatatabiether
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011696
Npass
NPC154822
Tcmid
10364
Pub Chem
5318260
Tcmbank
TCMBANKIN012153
Etcm Ingredient
5-Hydroxymatatabiether
Itcmdb Generated
ITX-INGREDIENT-77C1ED12059A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O2/c1-6-5-12-10(3)7(2)8(6)4-9(10)11/h6,8-9,11H,2,4-5H2,1,3H3
Mol Wt
168.236
Smiles
CC1COC2(C(CC1C2=C)O)C
Mol Log P
1.3484
In Ch Ikey
QZYDNGSONZSLGW-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.553
Num Hacceptors
2
Isomeric Smiles
CC1COC2(C(CC1C2=C)O)C
Canonical Smiles
CC1COC2(C(CC1C2=C)O)C
Molecular Weight
168.120
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.935
Quantitative Estimate Of Drug Likeness（Qed）
0.553