ITCMDBv1
IngredientID 19843

Ganolactone

C27H36O6

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
19843
Core Entity Id
25236
Source Entity Count
1
Preferred Name
Ganolactone
Name En
Pubchem Id
101712064
Smiles Canonical
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C(=O)C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]2(C([H])([H])C([H])([H])C(=O)O2)C([H])([H])[H])C([H])([H])C3=O)[C@@]34C([H])([H])[H])=C4[C@@]([H])(O[H ])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])C1=O
Molecular Formula
C27H36O6
Molecular Weight
456.5790
Inchikey
NEYFZTSOEPMHGQ-UHFFFAOYSA-N
Inchi
InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3
Isomeric Smiles
CC1(C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3(C(=O)CC4C5(CCC(=O)O5)C)C)C)O)C
Cas Id
Ob Score
13.2999
Mol Logp
3.7293
Num H Donors
1
Num H Acceptors
6
Num Rotatable Bonds
1
Drug Likeness
0.6040
Polar Surface Area
89.0000
Molecular Volume
332.0000
Alogp
3.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Ganolactone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lucidenolactone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ganolactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ganolactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganolactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ganolactone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganolactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lucidenolactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lucidenolactone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lucidenolactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lucidenolactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
lucidenolactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
灵芝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
灵芝(赤芝)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LING ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ling Zhi
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Lucid Ganoderma
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1S,3AR,4S,5AR,9AS,11AR)-4-HYDROXY-3A,6,6,9A,11A-PENTAMETHYL-1-(2-METHYL-5-OXOOXOLAN-2-YL)-1H,2H,4H,5H,5AH,8H,9H,11H-CYCLOPENTA[A]PHENANTHRENE-3,7,10-TRIONE
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1S,3AR,4S,5AR,9AS,11AR)-4-HYDROXY-3A,6,6,9A,11A-PENTAMETHYL-1-(2-METHYL-5-OXOOXOLAN-2-YL)-1H,2H,4H,5H,5AH,8H,9H,11H-CYCLOPENTA[A]PHENANTHRENE-3,7,10-TRIONE
Role
alias
Source
TCMBank
Preferred
No
Name
(5R,7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione
Role
alias
Source
TCMBank
Preferred
No
Name
(5R,7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione
Role
alias
Source
SymMap_v2
Preferred
No
Name
173268-82-1
Role
alias
Source
HERB_v2
Preferred
No
Name
173268-82-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-4,4,10,13,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-4,4,10,13,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione
Role
alias
Source
HERB_v2
Preferred
No
Name
9346AF
Role
alias
Source
TCMBank
Preferred
No
Name
9346AF
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1NSVQY
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSVQY
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG01160314
Role
alias
Source
TCMBank
Preferred
No
Name
BG01160314
Role
alias
Source
SymMap_v2
Preferred
No
Name
C27H36O6
Role
alias
Source
TCMBank
Preferred
No
Name
C27H36O6
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:177100
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:177100
Role
alias
Source
itcmdb_public
Preferred
No
Name
G89262
Role
alias
Source
itcmdb_public
Preferred
No
Name
G89262
Role
alias
Source
HERB_v2
Preferred
No
Name
Ganolactone A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ganolactone A
Role
alias
Source
HERB_v2
Preferred
No
Name
10.安神药(9-9)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tranquillizing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.养心安神药(6-6)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heart-nourishing tranquillizing medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Lucidenolactone灵芝灵芝(赤芝)LING ZHILucid Ganoderma(1S,3AR,4S,5AR,9AS,11AR)-4-HYDROXY-3A,6,6,9A,11A-PENTAMETHYL-1-(2-METHYL-5-OXOOXOLAN-2-YL)-1H,2H,4H,5H,5AH,8H,9H,11H-CYCLOPENTA[A]PHENANTHRENE-3,7,10-TRIONE(5R,7S,10S,13R,14R,17S)-7-hydroxy-4,4,10,13,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione173268-82-17-hydroxy-4,4,10,13,14-pentamethyl-17-(2-methyl-5-oxooxolan-2-yl)-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione9346AFAC1NSVQYBG01160314C27H36O6CHEBI:177100G89262Ganolactone A10.安神药(9-9)tranquillizing medicinal2.养心安神药(6-6)heart-nourishing tranquillizing medicinal

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN027318HBIN033653
Npass
NPC310097
Tcmid
8194
Tcmsp
MOL011286
Sym Map
SMIT12209SMIT15499
Pub Chem
101712064531751978384956
Tcmbank
TCMBANKIN039527TCMBANKIN040058
Etcm Ingredient
Ganolactonelucidenolactone
Itcmdb Generated
ITX-INGREDIENT-D87B82437B0FITX-INGREDIENT-DAE29CAF2B33

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Alog P
3
In Ch I
InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3InChI=1S/C27H36O6/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5)10-8-20(32)33-26/h14,16-17,28H,7-13H2,1-6H3/t14-,16-,17-,24-,25+,26-,27-/m0/s1
Mol Wt
456.5790000000003
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C(=O)C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]2(C([H])([H])C([H])([H])C(=O)O2)C([H])([H])[H])C([H])([H])C3=O)[C@@]34C([H])([H])[H])=C4[C@@]([H])(O[H ])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])C1=OC1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C(=O)C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C2([H])[H])C([H])([H])C3=O)[C@@]34C([H])([H])[H])=C4[C@@]( [H])(O[H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])C1=O
37 Flag
37
C Count
28
Mol Log P
3.729300000000003
N Count
0
O Count
5
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
NEYFZTSOEPMHGQ-UHFFFAOYSA-NNEYFZTSOEPMHGQ-YSROOBRHSA-N
Ob Score
13.2999497513.2999513.3
Suppress
0
Tcm Name
灵芝灵芝(赤芝)
Tcm Name2
LING ZHI
Mol2 Path
/TCM_database/10.安神药(9-9)/2.养心安神药(6-6)/灵芝/structure/3D/lucidenolactone.mol2/TCM_database/2003_3d_all/3244.mol2
Reference
350, 3081
Num Hdonors
1
Tcm Name En
Ling ZhiLucid Ganoderma
Level1 Name
10.安神药(9-9)
Level2 Name
2.养心安神药(6-6)
Num H Donors
1
Drug Likeness
0.604
Num Hacceptors
6
Level1 Name En
tranquillizing medicinal
Level2 Name En
heart-nourishing tranquillizing medicinal
Isomeric Smiles
CC1(C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3(C(=O)CC4C5(CCC(=O)O5)C)C)C)O)CC[C@]12CCC(=O)C([C@@H]1C[C@@H](C3=C2C(=O)C[C@]4([C@]3(C(=O)C[C@@H]4[C@@]5(CCC(=O)O5)C)C)C)O)(C)C
Molecule Weight
454.66
Num H Acceptors
5
Canonical Smiles
CC1(C2CC(C3=C(C2(CCC1=O)C)C(=O)CC4(C3(C(=O)CC4C5(CCC(=O)O5)C)C)C)O)C
Herb Alias Names
Ganolactone AG89262173268-82-1
Molecular Weight
456.250
Molecular Volume
332
Molecular Weight
455456.6 g/mol
Molecule Formula
C27H36O6
Molecular Formula
C27H36O6
Molecular Formula
C27H36O6C28H38O5
Molecular Formula
C27H36O6
Num Rotatable Bonds
1
Num Rotatable Bonds
1
Molecular Polar Surface Area
89
Fda Maximum Daily Dose (Fdamdd)
0.3500.610
Quantitative Estimate Of Drug Likeness（Qed）
0.556