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
- 8433
- Core Entity Id
- 12543
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxydihydromatatabiether
- Name En
- Pubchem Id
- 5318195
- Smiles Canonical
- CC1COC2(CCC1C2CO)C
- Molecular Formula
- C10H18O2
- Molecular Weight
- 170.2520
- Inchikey
- FGKHFTMVWRRKQK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O2/c1-7-6-12-10(2)4-3-8(7)9(10)5-11/h7-9,11H,3-6H2,1-2H3
- Isomeric Smiles
- CC1COC2(CCC1C2CO)C
- Cas Id
- Ob Score
- Mol Logp
- 1.4299
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxydihydromatatabiether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-hydroxydihydromatatabiether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-hydroxydihydromatatabiether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxydihydromatatabiether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013278
Npass
NPC230653
Tcmid
10007
Pub Chem
5318195
Tcmbank
TCMBANKIN011296
Etcm Ingredient
7-Hydroxydihydromatatabiether
Itcmdb Generated
ITX-INGREDIENT-5AD9F717D67C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H18O2/c1-7-6-12-10(2)4-3-8(7)9(10)5-11/h7-9,11H,3-6H2,1-2H3
Mol Wt
170.252
Smiles
CC1COC2(CCC1C2CO)C
Mol Log P
1.4299
In Ch Ikey
FGKHFTMVWRRKQK-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.645
Num Hacceptors
2
Isomeric Smiles
CC1COC2(CCC1C2CO)C
Canonical Smiles
CC1COC2(CCC1C2CO)C
Molecular Weight
170.130
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.049
Quantitative Estimate Of Drug Likeness（Qed）
0.645