Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8995
- Core Entity Id
- 13165
- Source Entity Count
- 1
- Preferred Name
- (8s)-8,9-dihydroxycuminylbeta-d-glucopyranoside
- Name En
- Pubchem Id
- 11782880
- Smiles Canonical
- CC(CO)(C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O)O
- Molecular Formula
- C16H24O8
- Molecular Weight
- 344.3600
- Inchikey
- BMDQNZUUDLWOPT-BKQXGZDCSA-N
- Inchi
- InChI=1S/C16H24O8/c1-16(22,8-18)10-4-2-9(3-5-10)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h2-5,11-15,17-22H,6-8H2,1H3/t11-,12-,13+,14-,15-,16-/m1/s1
- Isomeric Smiles
- C[C@@](CO)(C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.7971
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(8S)-8,9-Dihydroxycuminyl -beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(8s)-8,9-dihydroxycuminylbeta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(8s)-8,9-dihydroxycuminylbeta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(8S)-8,9-Dihydroxycuminyl -beta-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013898
Tcmid
5797
Pub Chem
11782880
Etcm Ingredient
(8S)-8,9-Dihydroxycuminyl -beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-7E140226B4E2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H24O8/c1-16(22,8-18)10-4-2-9(3-5-10)7-23-15-14(21)13(20)12(19)11(6-17)24-15/h2-5,11-15,17-22H,6-8H2,1H3/t11-,12-,13+,14-,15-,16-/m1/s1
Mol Wt
344.3600000000001
Mol Log P
-1.797099999999999
In Ch Ikey
BMDQNZUUDLWOPT-BKQXGZDCSA-N
Num Hdonors
6
Drug Likeness
0.355
Num Hacceptors
8
Isomeric Smiles
C[C@@](CO)(C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Canonical Smiles
CC(CO)(C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O)O
Molecular Weight
344.150
Molecular Formula
C16H24O8
Molecular Formula
C16H24O8
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.355