IngredientID 20106

Gibberellin a20

C19H24O5

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: 5Ingredient: 1Links: 5

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 20106
Core Entity Id: 25527
Source Entity Count: 1
Preferred Name: Gibberellin a20
Name En
Pubchem Id: 12310185
Smiles Canonical: CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)[O-])OC2=O
Molecular Formula: C19H24O5
Molecular Weight: 332.3960
Inchikey: OXFPYCSNYOFUCH-KQBHUUJHSA-N
Inchi: InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1
Isomeric Smiles: C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O
Cas Id: 19143-87-4
Ob Score: 94.9336
Mol Logp: 2.2803
Num H Donors: 2
Num H Acceptors: 4
Num Rotatable Bonds: 1
Drug Likeness: 0.5680
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Gibberellin A20

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Gibberellin A20

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Gibberellin a20

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Gibberellin a20

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

gibberellin A20

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylate

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

19143-87-4

Role

alias

Source

itcmdb_public

Preferred

Name

19143-87-4

Role

alias

Source

HERB_v2

Preferred

Name

7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylate

Role

alias

Source

TCMBank

Preferred

Name

7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:27742

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:27742

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:58526

Role

alias

Source

TCMBank

Preferred

Name

DTXSID60109280

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID60109280

Role

alias

Source

HERB_v2

Preferred

Name

GA20

Role

alias

Source

HERB_v2

Preferred

Name

GA20

Role

alias

Source

itcmdb_public

Preferred

Name

Gibbane-1,10-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,10beta)-

Role

alias

Source

itcmdb_public

Preferred

Name

Gibbane-1,10-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,10beta)-

Role

alias

Source

HERB_v2

Preferred

Name

Gibberellin 20

Role

alias

Source

itcmdb_public

Preferred

Name

Gibberellin 20

Role

alias

Source

HERB_v2

Preferred

Name

gibberellin A20(1-)

Role

alias

Source

TCMBank

Preferred

Name

gibberellin a20

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylate(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid19143-87-47alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylate7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acidCHEBI:27742CHEBI:58526DTXSID60109280GA20Gibbane-1,10-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,10beta)-Gibberellin 20gibberellin A20(1-)

Cross References

Trusted external identifiers retained for this final record.

Cas

19143-87-4

Herb

HBIN027621

Npass

NPC270070

Tcmid

8376

Tcmsp

MOL005246

Sym Map

SMIT07031SMIT15538

Tcm Id

4091

Pub Chem

1231018543963545109787528048152921566

Tcmbank

TCMBANKIN007245

Etcm Ingredient

Gibberellin A20

Itcmdb Generated

ITX-INGREDIENT-D8A9AFA7287A

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1

Mol Wt

332.396

Cas Id

19143-87-4

Smiles

CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)[O-])OC2=O

Mol Log P

2.2803

Version

v1,v2

In Ch Ikey

OXFPYCSNYOFUCH-KQBHUUJHSA-N

Ob Score

94.9336108994.93361194.934

Suppress

Num Hdonors

Drug Likeness

0.568

Num Hacceptors

Isomeric Smiles

C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O

Molecule Weight

332.43

Canonical Smiles

CC12CCCC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O

Herb Alias Names

19143-87-4(1R,2R,5S,8S,9S,10R,11R)-5-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acidCHEBI:27742Gibbane-1,10-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,10beta)-Gibberellin 20(1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acidDTXSID60109280GA20

Molecular Weight

332.160

Molecular Weight

332.39

Molecule Formula

C19H24O5

Molecular Formula

C19H24O5

Molecular Formula

C19H24O5

Molecular Formula

C19H24O5

Num Rotatable Bonds

Link Ingredient Id

7031.0

Fda Maximum Daily Dose (Fdamdd)

0.836

Quantitative Estimate Of Drug Likeness（Qed）

0.568