IngredientID 6396
(4s,8s)-8,9-dihydroxy-8,9-dihydrocarvone 9-o-beta-d-glucopyranoside
C16H26O8
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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6396
- Core Entity Id
- 10288
- Source Entity Count
- 1
- Preferred Name
- (4s,8s)-8,9-dihydroxy-8,9-dihydrocarvone 9-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 10807518
- Smiles Canonical
- CC1(C2CCC(C2)(C1=O)COC3C(C(C(C(O3)CO)O)O)O)CO
- Molecular Formula
- C16H26O8
- Molecular Weight
- 346.3760
- Inchikey
- VOSKDOKSPQKSPY-ZRSDGFGRSA-N
- Inchi
- InChI=1S/C16H26O8/c1-15(6-18)8-2-3-16(4-8,14(15)22)7-23-13-12(21)11(20)10(19)9(5-17)24-13/h8-13,17-21H,2-7H2,1H3/t8-,9-,10-,11+,12-,13-,15+,16+/m1/s1
- Isomeric Smiles
- C[C@@]1([C@@H]2CC[C@@](C2)(C1=O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO
- Cas Id
- Ob Score
- Mol Logp
- -1.8293
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(4S,8S)-8,9-Dihydroxy-8,9-dihydrocarvone 9-O--beta-D-glucopyrano-side
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(4s,8s)-8,9-dihydroxy-8,9-dihydrocarvone 9-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4s,8s)-8,9-dihydroxy-8,9-dihydrocarvone 9-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(4S,8S)-8,9-Dihydroxy-8,9-dihydrocarvone 9-O--beta-D-glucopyrano-side
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010908
Tcmid
160695807
Pub Chem
10807518
Etcm Ingredient
(4S,8S)-8,9-Dihydroxy-8,9-dihydrocarvone 9-O--beta-D-glucopyrano-side
Itcmdb Generated
ITX-INGREDIENT-52BD4DD14FDF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H26O8/c1-15(6-18)8-2-3-16(4-8,14(15)22)7-23-13-12(21)11(20)10(19)9(5-17)24-13/h8-13,17-21H,2-7H2,1H3/t8-,9-,10-,11+,12-,13-,15+,16+/m1/s1
Mol Wt
346.376
Mol Log P
-1.829299999999999
In Ch Ikey
VOSKDOKSPQKSPY-ZRSDGFGRSA-N
Num Hdonors
5
Drug Likeness
0.392
Num Hacceptors
8
Isomeric Smiles
C[C@@]1([C@@H]2CC[C@@](C2)(C1=O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO
Canonical Smiles
CC1(C2CCC(C2)(C1=O)COC3C(C(C(C(O3)CO)O)O)O)CO
Molecular Weight
346.160
Molecular Formula
C16H26O8
Molecular Formula
C16H26O8
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.514
Quantitative Estimate Of Drug Likeness（Qed）
0.405