Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Reference: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20154
- Core Entity Id
- 25581
- Source Entity Count
- 1
- Preferred Name
- Ginkgolide c
- Name En
- Pubchem Id
- 102004391
- Smiles Canonical
- CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
- Molecular Formula
- C20H24O11
- Molecular Weight
- 440.4010
- Inchikey
- AMOGMTLMADGEOQ-PYLUGNSCSA-N
- Inchi
- InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8-,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1
- Isomeric Smiles
- C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@@H]2O)[C@@]6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
- Cas Id
- 15291-76-6
- Ob Score
- 48.3290
- Mol Logp
- -2.3987
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2340
- Polar Surface Area
- 169.0000
- Molecular Volume
- 268.0000
- Alogp
- -2.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ginkgolide C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ginkgolide C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginkgolide c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginkgolide c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ginkgolide C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-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
(1R,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-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
1,7-Dihydroxy-ginkgolide A
Role
alias
Source
HERB_v2
Preferred
No
Name
1,7-Dihydroxy-ginkgolide A
Role
alias
Source
itcmdb_public
Preferred
No
Name
15291-76-6
Role
alias
Source
HERB_v2
Preferred
No
Name
15291-76-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS025311463
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS025311463
Role
alias
Source
itcmdb_public
Preferred
No
Name
AMOGMTLMADGEOQ-PYLUGNSCSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
AMOGMTLMADGEOQ-PYLUGNSCSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginkgolide C (>90%)
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginkgolide C (>90%)
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD02094178
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD02094178
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD06642603
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD06642603
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16452771
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16452771
Role
alias
Source
HERB_v2
Preferred
No
Name
ginkgolide c
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione1,7-Dihydroxy-ginkgolide A15291-76-6AKOS025311463AMOGMTLMADGEOQ-PYLUGNSCSA-NGinkgolide C (>90%)MFCD02094178MFCD06642603SCHEMBL16452771
Cross References
Trusted external identifiers retained for this final record.
Cas
15291-76-6
Herb
HBIN027685
Tcmid
8405
Tcmsp
MOL011587
Sym Map
SMIT12463
Tcm Id
11393113941139511396191041910521170
Pub Chem
10200439111826309129316758129670240134692166136199657137321129137704816146157360152743397159447641611201621141817751010247215024412959204446698050365981188579867869
Tcmbank
TCMBANKIN040456
Etcm Ingredient
Ginkgolide C
Itcmdb Generated
ITX-INGREDIENT-121FB02261C3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
-2
In Ch I
InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8-,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1
Mol Wt
440.4010000000002
Cas Id
15291-76-6
Smiles
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
37 Flag
37
C Count
20
Mol Log P
-2.398699999999998
N Count
0
O Count
11
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
AMOGMTLMADGEOQ-PYLUGNSCSA-N
Ob Score
48.32948.3292438248.329244
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 C.mol2
Num Hdonors
4
Num H Donors
4
Drug Likeness
0.234
Num Hacceptors
11
Isomeric Smiles
C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@@H]2O)[C@@]6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
Molecule Weight
440.44
Num H Acceptors
11
Canonical Smiles
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
Herb Alias Names
15291-76-61,7-Dihydroxy-ginkgolide AGinkgolide C (>90%)(1R,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trioneSCHEMBL16452771AMOGMTLMADGEOQ-PYLUGNSCSA-NMFCD02094178MFCD06642603AKOS025311463
Molecular Weight
440.130
Molecular Volume
268
Molecular Weight
440.4
Molecular Formula
C20H24O11
Molecular Formula
C20H24O11
Molecular Formula
C20H24O11
Num Rotatable Bonds
0
Num Rotatable Bonds
1
Molecular Polar Surface Area
169
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.234