ITCMDBv1
IngredientID 20378

Glochidonol

C30H48O2

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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: 3Ingredient: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
20378
Core Entity Id
25830
Source Entity Count
1
Preferred Name
Glochidonol
Name En
Pubchem Id
14167335
Smiles Canonical
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CC(=O)C5(C)C)O)C)C)C
Molecular Formula
C30H48O2
Molecular Weight
440.7120
Inchikey
POKGESLRCWHPFR-GEWRCSBCSA-N
Inchi
InChI=1S/C30H48O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-22,24-25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,24+,25+,27+,28+,29+,30-/m0/s1
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](CC(=O)C5(C)C)O)C)C)C
Cas Id
Ob Score
Mol Logp
7.2038
Num H Donors
1
Num H Acceptors
2
Num Rotatable Bonds
1
Drug Likeness
0.4380
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Glochidonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glochidonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glochidonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glochidonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
棰柱算盘子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHUI ZHU SUAN PAN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Srilanka Glochidion
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,3aR,5aR,5bR,7aR,11R,11aR,11bS,13aR,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,3aR,5aR,5bR,7aR,11R,11aR,11bS,13aR,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
23963-54-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
23963-54-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948716
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948716
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67597
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67597
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-53581
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-53581
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9639
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9639
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3952
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3952
Role
alias
Source
HERB_v2
Preferred
No
Name
Lup-20(29)-en-3-one, 1-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Lup-20(29)-en-3-one, 1-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3740114
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3740114
Role
alias
Source
itcmdb_public
Preferred
No
Name
glochidonol
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

棰柱算盘子CHUI ZHU SUAN PAN ZISrilanka Glochidion(1R,3aR,5aR,5bR,7aR,11R,11aR,11bS,13aR,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one23963-54-4AKOS032948716CHEBI:67597DA-53581FS-9639HY-N3952Lup-20(29)-en-3-one, 1-hydroxy-SCHEMBL3740114

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN027983
Npass
NPC101458
Tcmid
8569
Tcm Id
2009022780
Pub Chem
14167335
Tcmbank
TCMBANKIN038797
Etcm Ingredient
Glochidonol
Itcmdb Generated
ITX-INGREDIENT-BE389931CC07

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C30H48O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-22,24-25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,24+,25+,27+,28+,29+,30-/m0/s1
Mol Wt
440.7120000000002
Mol Log P
7.203800000000009
In Ch Ikey
POKGESLRCWHPFR-GEWRCSBCSA-N
Tcm Name
棰柱算盘子
Tcm Name2
CHUI ZHU SUAN PAN ZI
Mol2 Path
/TCM_database/2007_3d_all/08570.mol2
Reference
4099, 5065
Num Hdonors
1
Tcm Name En
Srilanka Glochidion
Drug Likeness
0.438
Num Hacceptors
2
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](CC(=O)C5(C)C)O)C)C)C
Canonical Smiles
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CC(=O)C5(C)C)O)C)C)C
Herb Alias Names
23963-54-4(1R,3aR,5aR,5bR,7aR,11R,11aR,11bS,13aR,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-oneSCHEMBL3740114CHEBI:67597HY-N3952AKOS032948716FS-9639Lup-20(29)-en-3-one, 1-hydroxy-DA-53581
Molecular Weight
440.370
Molecular Weight
440.7 g/mol
Molecular Formula
C30H48O2
Molecular Formula
C30H48O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.805
Quantitative Estimate Of Drug Likeness（Qed）
0.438