IngredientID 26250

Methyl ganoderate ap

C31H44O9

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: 4Ingredient: 1Links: 4

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 26250
Core Entity Id: 32368
Source Entity Count: 1
Preferred Name: Methyl ganoderate ap
Name En
Pubchem Id: 5319659
Smiles Canonical: C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C(=O)[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@@]([H])([C@@](O[H])(C([H])([H])[H])C([H])([H])C(C([H])([H])[C@]([H])(C([H])([H])[H])C(OC([H])([H])[H])=O)=O)C ([H])([H])[C@]2([H])O[H])[C@@]23C([H])([H])[H])=C3C(=O)C4([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C1=O
Molecular Formula: C31H44O9
Molecular Weight: 560.6840
Inchikey: QIDJKJCRXFDRJP-MKDNETQUSA-N
Inchi: InChI=1S/C31H44O9/c1-15(26(38)40-8)11-16(32)14-29(5,39)19-13-21(35)31(7)22-17(33)12-18-27(2,3)20(34)9-10-28(18,4)23(22)24(36)25(37)30(19,31)6/h15,18-19,21,25,35,37,39H,9-14H2,1-8H3/t15?,18?,19-,21?,25-,28+,29?,30+,31?/m1/s1
Isomeric Smiles: CC(CC(=O)CC(C)([C@H]1CC(C2([C@@]1([C@@H](C(=O)C3=C2C(=O)CC4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O)O)C(=O)OC
Cas Id
Ob Score
Mol Logp: 2.5138
Num H Donors: 3
Num H Acceptors: 9
Num Rotatable Bonds: 6
Drug Likeness: 0.4160
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Methyl Ganoderate Ap

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Methyl Ganoderate Ap

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Methyl ganoderate AP

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Methyl ganoderate AP

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Methyl ganoderate ap

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Methyl ganoderate ap

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

树舌

Role

TCM_name

Source

TCMBank

Preferred

Name

SHU SHE

Role

TCM_name2

Source

TCMBank

Preferred

Name

Tongue-on-tree

Role

TCM_name_en

Source

TCMBank

Preferred

Name

AC1NSYEG

Role

alias

Source

TCMBank

Preferred

Name

AC1NSYEG

Role

alias

Source

SymMap_v2

Preferred

Name

methyl 6-[(10S,12S,13R,17S)-12,15-dihydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoate

Role

alias

Source

SymMap_v2

Preferred

Name

methyl 6-[(10S,12S,13R,17S)-12,15-dihydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoate

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

树舌SHU SHETongue-on-treeAC1NSYEGmethyl 6-[(10S,12S,13R,17S)-12,15-dihydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoate

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN035227

Npass

NPC19019

Tcmid

14449

Sym Map

SMIT16626

Pub Chem

5319659

Tcmbank

TCMBANKIN046883

Etcm Ingredient

Methyl ganoderate AP

Itcmdb Generated

ITX-INGREDIENT-2B4934F7C16F

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C31H44O9/c1-15(26(38)40-8)11-16(32)14-29(5,39)19-13-21(35)31(7)22-17(33)12-18-27(2,3)20(34)9-10-28(18,4)23(22)24(36)25(37)30(19,31)6/h15,18-19,21,25,35,37,39H,9-14H2,1-8H3/t15?,18?,19-,21?,25-,28+,29?,30+,31?/m1/s1

Mol Wt

560.6840000000003

Smiles

C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(C(=O)[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@@]([H])([C@@](O[H])(C([H])([H])[H])C([H])([H])C(C([H])([H])[C@]([H])(C([H])([H])[H])C(OC([H])([H])[H])=O)=O)C ([H])([H])[C@]2([H])O[H])[C@@]23C([H])([H])[H])=C3C(=O)C4([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C1=O

Mol Log P

2.513800000000002

Version

v1,v2

In Ch Ikey

QIDJKJCRXFDRJP-MKDNETQUSA-N

Suppress

Tcm Name

树舌

Tcm Name2

SHU SHE

Mol2 Path

/TCM_database/2003_3d_all/5677.mol2

Reference

1500

Num Hdonors

Tcm Name En

Tongue-on-tree

Drug Likeness

0.416

Num Hacceptors

Isomeric Smiles

CC(CC(=O)CC(C)([C@H]1CC(C2([C@@]1([C@@H](C(=O)C3=C2C(=O)CC4[C@@]3(CCC(=O)C4(C)C)C)O)C)C)O)O)C(=O)OC

Canonical Smiles

CC(CC(=O)CC(C)(C1CC(C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)O)C)C)O)O)C(=O)OC

Molecular Weight

560.300

Molecular Formula

C31H44O9

Molecular Formula

C31H44O9

Molecular Formula

C31H44O9

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.466

Quantitative Estimate Of Drug Likeness（Qed）

0.369