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
- 7750
- Core Entity Id
- 11794
- Source Entity Count
- 1
- Preferred Name
- 6-methoxygeniposidic acid
- Name En
- Pubchem Id
- 6325623
- Smiles Canonical
- COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
- Molecular Formula
- C17H24O11
- Molecular Weight
- 404.3680
- Inchikey
- UGWIKFJKKFUZBT-XMSKVFGSSA-N
- Inchi
- InChI=1S/C17H24O11/c1-25-8-2-6(3-18)10-11(8)7(15(23)24)5-26-16(10)28-17-14(22)13(21)12(20)9(4-19)27-17/h2,5,8-14,16-22H,3-4H2,1H3,(H,23,24)/t8?,9-,10?,11?,12-,13+,14-,16?,17+/m1/s1
- Isomeric Smiles
- COC1C=C(C2C1C(=COC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
- Cas Id
- Ob Score
- 48.3159
- Mol Logp
- -2.6926
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Methoxygeniposidic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-Methoxygeniposidic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-methoxygeniposidic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-methoxygeniposidic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-methoxygeniposidic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-methoxygeniposidicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6-methoxygeniposidicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012523
Npass
NPC107751
Tcmid
1393231543
Tcmsp
MOL006156
Sym Map
SMIT07816
Pub Chem
6325623
Tcmbank
TCMBANKIN032990
Etcm Ingredient
6-Methoxygeniposidic acid
Itcmdb Generated
ITX-INGREDIENT-4A0F9654958F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H24O11/c1-25-8-2-6(3-18)10-11(8)7(15(23)24)5-26-16(10)28-17-14(22)13(21)12(20)9(4-19)27-17/h2,5,8-14,16-22H,3-4H2,1H3,(H,23,24)/t8?,9-,10?,11?,12-,13+,14-,16?,17+/m1/s1
Mol Wt
404.3680000000002
Smiles
COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
Mol Log P
-2.692599999999997
Version
v1,v2
In Ch Ikey
UGWIKFJKKFUZBT-XMSKVFGSSA-N
Ob Score
48.315891848.31589248.316
Suppress
0
Num Hdonors
6
Drug Likeness
0.254
Num Hacceptors
10
Isomeric Smiles
COC1C=C(C2C1C(=COC2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
Molecule Weight
240.28
Canonical Smiles
COC1C=C(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
Molecular Weight
404.130
Molecular Weight
240.28
Molecular Formula
C17H24O11
Molecular Formula
C17H24O11
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.254