IngredientID 24960

Lucidone f

C24H34O5

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Herb: 4Ingredient: 1Target: 6Links: 10

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 24960
Core Entity Id: 30939
Source Entity Count: 1
Preferred Name: Lucidone f
Name En
Pubchem Id: 71453988
Smiles Canonical: CC(=O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C
Molecular Formula: C24H34O5
Molecular Weight: 402.5310
Inchikey: NKQOQQOOZLPVEV-FBHWSAQCSA-N
Inchi: InChI=1S/C24H34O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16-17,26,28H,7-11H2,1-6H3/t13-,14+,16+,17+,22+,23-,24+/m1/s1
Isomeric Smiles: CC(=O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C
Cas Id: 97653-92-4
Ob Score: 37.2190
Mol Logp: 3.0144
Num H Donors: 2
Num H Acceptors: 5
Num Rotatable Bonds: 1
Drug Likeness: 0.7030
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Lucidone F

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Lucidone A

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Lucidone A

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Lucidone F

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Lucidone F

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Lucidone a

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Lucidone a

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Lucidone f

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Lucidone f

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

lucidone A

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

灵芝(赤芝)

Role

TCM_name

Source

TCMBank

Preferred

Name

LING ZHI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Lucid Ganoderma

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(3S,5R,7S,10S,13R,14R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta(a)phenanthrene-11,15-dione

Role

alias

Source

itcmdb_public

Preferred

Name

(3S,5R,7S,10S,13R,14R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione

Role

alias

Source

HERB_v2

Preferred

Name

(3S,5R,7S,10S,13R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione

Role

alias

Source

TCMBank

Preferred

Name

3b,7b-Dihydroxy-4,4,14-trimethyl-5a-pregn-8-ene-11,15,20-trione, 9CI

Role

alias

Source

itcmdb_public

Preferred

Name

3b,7b-Dihydroxy-4,4,14-trimethyl-5a-pregn-8-ene-11,15,20-trione, 9CI

Role

alias

Source

HERB_v2

Preferred

Name

97653-92-4

Role

alias

Source

itcmdb_public

Preferred

Name

97653-92-4

Role

alias

Source

HERB_v2

Preferred

Name

AC1L44B5

Role

alias

Source

TCMBank

Preferred

Name

Armillyl everninic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Armillyl everninic acid

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL2203600

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL2203600

Role

alias

Source

itcmdb_public

Preferred

Name

Lucidone A

Role

alias

Source

HERB_v2

Preferred

Name

Lucidone A

Role

alias

Source

itcmdb_public

Preferred

Name

Lucidone F

Role

alias

Source

itcmdb_public

Preferred

Name

Lucidone F

Role

alias

Source

HERB_v2

Preferred

Name

Pregn-8-ene-11,15,20-trione, 3,7-dihydroxy-4,4,14-trimethyl-, (3beta,5alpha,7beta)-

Role

alias

Source

HERB_v2

Preferred

Name

Pregn-8-ene-11,15,20-trione, 3,7-dihydroxy-4,4,14-trimethyl-, (3beta,5alpha,7beta)-

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL24412731

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL24412731

Role

alias

Source

itcmdb_public

Preferred

Name

lucidone a

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Lucidone A灵芝(赤芝)LING ZHILucid Ganoderma(3S,5R,7S,10S,13R,14R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta(a)phenanthrene-11,15-dione(3S,5R,7S,10S,13R,14R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione(3S,5R,7S,10S,13R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione3b,7b-Dihydroxy-4,4,14-trimethyl-5a-pregn-8-ene-11,15,20-trione, 9CI97653-92-4AC1L44B5Armillyl everninic acidCHEMBL2203600Pregn-8-ene-11,15,20-trione, 3,7-dihydroxy-4,4,14-trimethyl-, (3beta,5alpha,7beta)-SCHEMBL24412731

Cross References

Trusted external identifiers retained for this final record.

Cas

97653-92-4

Herb

HBIN033665HBIN033669

Npass

NPC297199

Tcmid

1304237155

Tcmsp

MOL011287

Sym Map

SMIT12210SMIT16361SMIT25119

Pub Chem

71453988

Tcmbank

TCMBANKIN030067TCMBANKIN043645

Etcm Ingredient

lucidone A

Itcmdb Generated

ITX-INGREDIENT-595234CABF2DITX-INGREDIENT-84AB800C3404

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C24H34O5/c1-12(25)13-9-18(29)24(6)20-14(26)10-16-21(2,3)17(28)7-8-22(16,4)19(20)15(27)11-23(13,24)5/h13-14,16-17,26,28H,7-11H2,1-6H3/t13-,14+,16+,17+,22+,23-,24+/m1/s1

Mol Wt

402.5310000000001

Cas Id

97653-92-4

Mol Log P

3.014400000000001

Version

v1,v2v2

In Ch Ikey

NKQOQQOOZLPVEV-FBHWSAQCSA-N

Ob Score

37.21937.21945437.21945418

Suppress

Tcm Name

灵芝(赤芝)

Tcm Name2

LING ZHI

Mol2 Path

/TCM_database/2007_3d_all/13048.mol2

Reference

660, 4603

Num Hdonors

Tcm Name En

Lucid Ganoderma

Drug Likeness

0.703

Num Hacceptors

Isomeric Smiles

CC(=O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C

Molecule Weight

402.58

Canonical Smiles

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

Herb Alias Names

97653-92-4(3S,5R,7S,10S,13R,14R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dionePregn-8-ene-11,15,20-trione, 3,7-dihydroxy-4,4,14-trimethyl-, (3beta,5alpha,7beta)-Lucidone F(3S,5R,7S,10S,13R,14R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta(a)phenanthrene-11,15-dioneArmillyl everninic acid3b,7b-Dihydroxy-4,4,14-trimethyl-5a-pregn-8-ene-11,15,20-trione, 9CICHEMBL2203600SCHEMBL24412731

Molecular Weight

402.240

Molecular Weight

402.52

Molecular Formula

C24H34O5

Molecular Formula

C24H34O5

Num Rotatable Bonds

Link Ingredient Id

12210.0

Fda Maximum Daily Dose (Fdamdd)

0.924

Quantitative Estimate Of Drug Likeness（Qed）

0.728