Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20156
- Core Entity Id
- 25583
- Source Entity Count
- 1
- Preferred Name
- Ginkgolide m
- Name En
- Pubchem Id
- 101599977
- Smiles Canonical
- CC1C2C(C(C34C25C(=O)OC3C(C(C46C(C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O
- Molecular Formula
- C20H24O10
- Molecular Weight
- 424.4020
- Inchikey
- KDKROYXEHCYLJQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3
- Isomeric Smiles
- CC1C2C(C(C34C25C(=O)OC3C(C(C46C(C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O
- Cas Id
- 15291-78-8
- Ob Score
- 49.0919
- Mol Logp
- -1.5136
- Num H Donors
- 3
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3090
- Polar Surface Area
- 149.0000
- Molecular Volume
- 265.0000
- Alogp
- -1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ginkgolide M
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ginkgolide M
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginkgolide m
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginkgolide m
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ginkgolide M
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
15291-78-8
Role
alias
Source
HERB_v2
Preferred
No
Name
15291-78-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Role
alias
Source
itcmdb_public
Preferred
No
Name
GinkgolideM
Role
alias
Source
itcmdb_public
Preferred
No
Name
GinkgolideM
Role
alias
Source
HERB_v2
Preferred
No
Name
ginkgolide m
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
15291-78-88-Tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trioneGinkgolideM
Cross References
Trusted external identifiers retained for this final record.
Cas
15291-78-8
Herb
HBIN027687
Tcmid
8407
Tcmsp
MOL011589
Sym Map
SMIT12465
Tcm Id
191074058
Pub Chem
101599977123102081383941544617383671450923
Tcmbank
TCMBANKIN045769
Etcm Ingredient
ginkgolide M
Itcmdb Generated
ITX-INGREDIENT-8E08145603E8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
-1
In Ch I
InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3
Mol Wt
424.4020000000002
Cas Id
15291-78-8
Smiles
CC1C2C(C(C34C25C(=O)OC3C(C(C46C(C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O
37 Flag
37
C Count
20
Mol Log P
-1.513599999999999
N Count
0
O Count
10
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
KDKROYXEHCYLJQ-UHFFFAOYSA-N
Ob Score
49.0919179949.09191849.092
Suppress
0
Mol2 Path
/TCM_database/9.化痰止咳平喘药(34-34)/3.止咳平喘药(11-11)/银杏/structure/ginkgolide M.mol2
Reference
6, 1035, 1036, 1164
Num Hdonors
3
Num H Donors
3
Drug Likeness
0.309
Num Hacceptors
10
Isomeric Smiles
CC1C2C(C(C34C25C(=O)OC3C(C(C46C(C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O
Molecule Weight
424.44
Num H Acceptors
10
Canonical Smiles
CC1C2C(C(C34C25C(=O)OC3C(C(C46C(C(=O)OC6O5)O)C(C)(C)C)O)O)OC1=O
Herb Alias Names
15291-78-8GinkgolideM8-Tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
Molecular Weight
424.140
Molecular Volume
265
Molecular Weight
424.4
Molecular Formula
C20H24O10
Molecular Formula
C20H24O10
Molecular Formula
C20H24O10
Num Rotatable Bonds
0
Num Rotatable Bonds
1
Molecular Polar Surface Area
149
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.309