ITCMDBv1
IngredientID 19778

Ganodericacid c1

C30H42O7

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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: 7Links: 10
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
19778
Core Entity Id
25164
Source Entity Count
1
Preferred Name
Ganodericacid c1
Name En
Pubchem Id
102004379
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@]([H])(C([H])([H])[H])C([H])([H])C(=O)C([H])([H])[C@]([H])(C(O[H])=O)C([H])([H])[H])C([H])([H])C2=O)[C@ @]23C([H])([H])[H])=C3[C@@]([H])(O[H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
Molecular Formula
C30H42O7
Molecular Weight
514.6590
Inchikey
YTVGSCZIHGRVAV-IYAQLQCNSA-N
Inchi
InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21-,28+,29-,30+/m1/s1
Isomeric Smiles
CC(CC(=O)CC(C)C(=O)O)C1CC(=O)[C@]2([C@]1(CC(=O)C3=C2[C@@H](CC4[C@]3(CCC(=O)C4(C)C)C)O)C)C
Cas Id
Ob Score
22.9990
Mol Logp
4.3397
Num H Donors
2
Num H Acceptors
6
Num Rotatable Bonds
6
Drug Likeness
0.5400
Polar Surface Area
126.0000
Molecular Volume
373.0000
Alogp
3.0000

Names

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

Name
Ganode-8-En-Ricacid C1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganode-8-en-ric acid C1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ganode-8-en-ric acid C1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ganode-8-en-ricacid c1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganode-8-en-ricacid c1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ganoderic Acid D
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganoderic acid C1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ganoderic acid d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganoderic acid d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ganodericacid C1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganodericacid c1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ganodericacid c1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ganoderic acid D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ganoderic acid D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
ganodericacid c1
Role
preferred
Source
TCMBank
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
(2R,6R)-6-((5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,6R)-6-((5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
108340-60-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
108340-60-9
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50021402
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50021402
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:200379
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:200379
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2205002
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2205002
Role
alias
Source
HERB_v2
Preferred
No
Name
GanodericacidD
Role
alias
Source
HERB_v2
Preferred
No
Name
GanodericacidD
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ganodernic acid D
Role
alias
Source
HERB_v2
Preferred
No
Name
Ganodernic acid D
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N1511
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N1511
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3676373
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3676373
Role
alias
Source
itcmdb_public
Preferred
No
Name
ganode-8-en-ricacid c1
Role
alias
Source
TCMBank
Preferred
No
Name
ganoderic acid D
Role
alias
Source
TCMBank
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.

Ganode-8-En-Ricacid C1Ganode-8-en-ric acid C1Ganoderic Acid DGanoderic acid C1灵芝灵芝(赤芝)LING ZHILucid Ganoderma(2R,6R)-6-((5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid(6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid108340-60-9BDBM50021402CHEBI:200379CHEMBL2205002GanodericacidDGanodernic acid DHY-N1511SCHEMBL367637310.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.

Cas
108340-60-9
Herb
HBIN027205HBIN027234HBIN027237
Tcmid
2320181518167
Tcmsp
MOL011187
Sym Map
SMIT12118SMIT15463SMIT15476
Pub Chem
10200437912448803913314348113811516414109406
Tcmbank
TCMBANKIN008997TCMBANKIN032599TCMBANKIN048183TCMBANKIN059310
Etcm Ingredient
Ganode-8-en-ric acid C1Ganoderic acid C1ganoderic acid D
Itcmdb Generated
ITX-INGREDIENT-055823A1B38AITX-INGREDIENT-08ECBA5E32D0ITX-INGREDIENT-34E87A8EE0EEITX-INGREDIENT-55C1570F152EITX-INGREDIENT-A74FF66FC391ITX-INGREDIENT-E0F703B2A4A6ITX-INGREDIENT-E4261AE7777AITX-INGREDIENT-EEB8ED0C7246

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Alog P
3
In Ch I
InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21-,28+,29-,30+/m1/s1InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,28+,29-,30+/m1/s1InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15?,16?,18?,19-,21?,28-,29+,30-/m1/s1
Mol Wt
514.6590000000003
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@]([H])(C([H])([H])[H])C([H])([H])C(=O)C([H])([H])[C@]([H])(C(O[H])=O)C([H])([H])[H])C([H])([H])C2=O)[C@ @]23C([H])([H])[H])=C3[C@@]([H])(O[H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
37 Flag
37
C Count
30
Mol Log P
4.339700000000004
N Count
0
O Count
7
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
YTVGSCZIHGRVAV-IYAQLQCNSA-NYTVGSCZIHGRVAV-RNHMAOHMSA-NYTVGSCZIHGRVAV-SBKROVKMSA-N
Ob Score
22.99922.99905522.99905543
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/ganoderic acid D.mol2/TCM_database/2007_3d_all/08152.mol2/TCM_database/2007_3d_all/08168.mol2
Reference
22354204
Num Hdonors
2
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
23
Drug Likeness
0.54
Num Hacceptors
6
Level1 Name En
tranquillizing medicinal
Level2 Name En
heart-nourishing tranquillizing medicinal
Isomeric Smiles
CC(CC(=O)CC(C)C(=O)O)C1CC(=O)[C@]2([C@]1(CC(=O)C3=C2[C@@H](CC4[C@]3(CCC(=O)C4(C)C)C)O)C)CC[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)CC[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C
Molecule Weight
516.74
Num H Acceptors
7
Canonical Smiles
CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
Herb Alias Names
(2R,6R)-6-((5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
Molecular Weight
514.290516.310
Molecular Volume
373374
Molecular Weight
514.6 g/mol515517
Molecule Formula
C30H42O7
Molecular Formula
C30H42O7C30H44O7
Molecular Formula
C30H42O7C30H44O7
Molecular Formula
C30H42O7
Num Rotatable Bonds
6
Num Rotatable Bonds
6
Molecular Polar Surface Area
126129
Fda Maximum Daily Dose (Fdamdd)
0.0360.0460.940
Quantitative Estimate Of Drug Likeness（Qed）
0.5400.554