ITCMDBv1
IngredientID 15015

Coleonol

C22H34O7

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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: 1Reference: 1Target: 12Links: 16
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
15015
Core Entity Id
19855
Source Entity Count
1
Preferred Name
Coleonol
Name En
Pubchem Id
47936
Smiles Canonical
C1([H])([H])[C@]([H])(O[H])[C@](C([H])([H])[H])([C@@](O[H])(C(=O)C([H])([H])[C@](C([H])([H])[H])(C([H])=C([H])[H])O2)[C@@]2(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]3(O[H])[H])[C@]3([H])C(C([ H])([H])[H])(C([H])([H])[H])C1([H])[H]
Molecular Formula
C22H34O7
Molecular Weight
410.5070
Inchikey
OHCQJHSOBUTRHG-KGGHGJDLSA-N
Inchi
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
Isomeric Smiles
CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O
Cas Id
Ob Score
Mol Logp
1.5199
Num H Donors
3
Num H Acceptors
7
Num Rotatable Bonds
2
Drug Likeness
0.4670
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Coleonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coleonol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Coleonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Coleonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Forskolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Forskolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
forskolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ForskahI CoIeus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
66575-29-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
66575-29-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Boforsin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Boforsin
Role
alias
Source
HERB_v2
Preferred
No
Name
Coleonol
Role
alias
Source
HERB_v2
Preferred
No
Name
Coleonol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Coleonolk
Role
alias
Source
HERB_v2
Preferred
No
Name
Coleonolk
Role
alias
Source
itcmdb_public
Preferred
No
Name
Colforsin
Role
alias
Source
HERB_v2
Preferred
No
Name
Colforsin
Role
alias
Source
itcmdb_public
Preferred
No
Name
HL 362
Role
alias
Source
itcmdb_public
Preferred
No
Name
HL 362
Role
alias
Source
HERB_v2
Preferred
No
Name
coleonol
Role
alias
Source
TCMBank
Preferred
No
Name
colforsina
Role
alias
Source
HERB_v2
Preferred
No
Name
colforsina
Role
alias
Source
itcmdb_public
Preferred
No
Name
colforsine
Role
alias
Source
itcmdb_public
Preferred
No
Name
colforsine
Role
alias
Source
HERB_v2
Preferred
No
Name
colforsinum
Role
alias
Source
itcmdb_public
Preferred
No
Name
colforsinum
Role
alias
Source
HERB_v2
Preferred
No
Name
forskolin
Role
alias
Source
HERB_v2
Preferred
No
Name
forskolin
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

ForskolinForskahI CoIeus66575-29-9BoforsinColeonolkColforsinHL 362colforsinacolforsinecolforsinum

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN021266HBIN026686
Npass
NPC208461NPC289702
Tcmid
309743915
Tcm Id
245925534
Pub Chem
47936
Tcmbank
TCMBANKIN055476TCMBANKIN058990
Etcm Ingredient
Coleonol
Itcmdb Generated
ITX-INGREDIENT-0E25B1C63A11ITX-INGREDIENT-7C7043675600

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
Mol Wt
410.5070000000002
Smiles
C1([H])([H])[C@]([H])(O[H])[C@](C([H])([H])[H])([C@@](O[H])(C(=O)C([H])([H])[C@](C([H])([H])[H])(C([H])=C([H])[H])O2)[C@@]2(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]3(O[H])[H])[C@]3([H])C(C([ H])([H])[H])(C([H])([H])[H])C1([H])[H]CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
Mol Log P
1.5199
In Ch Ikey
OHCQJHSOBUTRHG-KGGHGJDLSA-N
Tcm Name
毛喉鞘蕊花
Tcm Name2
MAO HOU QIAO RUI HUA
Mol2 Path
/TCM_database/2003_3d_all/1557.mol2
Reference
661
Num Hdonors
3
Tcm Name En
ForskahI CoIeus
Drug Likeness
0.467
Num Hacceptors
7
Isomeric Smiles
CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O
Canonical Smiles
CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
Herb Alias Names
forskolinColforsin66575-29-9colforsinacolforsinecolforsinumBoforsinHL 362Coleonolk
Molecular Weight
410.230
Molecular Weight
410.5 g/mol
Molecular Formula
C22H34O7
Molecular Formula
C22H34O7
Molecular Formula
C22H34O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.130
Quantitative Estimate Of Drug Likeness（Qed）
0.467