Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 16Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 46109
- Core Entity Id
- 89120
- Source Entity Count
- 1
- Preferred Name
- (1R,2S,4R,7S)-Vicodiol 9-O-β-D-glucopyranoside
- Name En
- Pubchem Id
- 85406156
- Smiles Canonical
- CC12CCC(CC1O)C2(C)COC1OC(CO)C(O)C(O)C1O
- Molecular Formula
- C16H28O7
- Molecular Weight
- 332.1800
- Inchikey
- GMFYAZXWJRYMFV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H28O7/c1-15-4-3-8(5-10(15)18)16(15,2)7-22-14-13(21)12(20)11(19)9(6-17)23-14/h8-14,17-21H,3-7H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.3000
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 120.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1R,2S,4R,7S)-Vicodiol 9-O-β-D-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R,2S,4R,7S)-Vicodiol 9-O-β-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN020622TCMBANKIN025961
Etcm Ingredient
(1R,2S,4R,7S)-Vicodiol 9-O-β-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-098CAFC1750FITX-INGREDIENT-61D1BC944F87
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC12CCC(C1(C)COC3C(C(C(C(O3)CO)O)O)O)CC2O
Tcm Name
缩砂密
Tcm Name2
SUO SHA MI
Mol2 Path
/TCM_database/2007_3d_all/22468.mol2
Reference
436
Tcm Name En
Locklebur-like Amomum
Molecular Weight
332.180
Molecular Formula
C16H28O7
Molecular Formula
C16H28O7
Fda Maximum Daily Dose (Fdamdd)
0.594
Quantitative Estimate Of Drug Likeness（Qed）
0.447