IngredientID 6909

5-epi-eudesm-4(15)-ene-1beta,6beta-diol

C15H26O2

Relationship Network

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Herb: 4Ingredient: 1Links: 4

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 6909
Core Entity Id: 10860
Source Entity Count: 1
Preferred Name: 5-epi-eudesm-4(15)-ene-1beta,6beta-diol
Name En
Pubchem Id: 10879195
Smiles Canonical: CC(C)C1CCC2(C(CCC(=C)C2C1O)O)C
Molecular Formula: C15H26O2
Molecular Weight: 238.3710
Inchikey: WKKJGHCXVKEJNU-QMIVOQANSA-N
Inchi: InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15+/m1/s1
Isomeric Smiles: CC(C)[C@H]1CC[C@]2([C@@H](CCC(=C)[C@H]2[C@@H]1O)O)C
Cas Id
Ob Score
Mol Logp: 2.7467
Num H Donors: 2
Num H Acceptors: 2
Num Rotatable Bonds: 1
Drug Likeness: 0.6900
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

5-Epi-eudesm-4(15)-ene-1-beta,6-beta-diol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

5-epi-eudesm-4(15)-ene-1beta,6beta-diol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

5-epi-eudesm-4(15)-ene-1beta,6beta-diol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

7-Epieudesm-4(15)-ene-1-alpha,6-alpha-diol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

7-epieudesm-4(15)-ene-1alpha,6alpha-diol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

7-epieudesm-4(15)-ene-1alpha,6alpha-diol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

ent-4(15)-Eudesmene-1β,6α-diol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

爪哇甲克苔

Role

TCM_name

Source

TCMBank

Preferred

Name

ZHAO WA JIA KE TAI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Japanese liverwort

Role

TCM_name_en

Source

TCMBank

Preferred

Name

4(15)-eudesmene-1β,5α-diol

Role

alias

Source

TCMBank

Preferred

Name

5-epi-eudesm-4(15)-ene-1β,6β-diol

Role

alias

Source

TCMBank

Preferred

Name

7-epieudesm-4(15)-ene-1α,6α-diol

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL461400

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL461400

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL503863

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL503863

Role

alias

Source

itcmdb_public

Preferred

Name

4(15)-Eudesmene-1-beta,5-alpha-diol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

4(15)-eudesmene-1beta,5alpha-diol

Role

preferred

Source

HERB_v2

Preferred

Yes

Aliases

Additional names normalized into the restored final schema.

5-Epi-eudesm-4(15)-ene-1-beta,6-beta-diol7-Epieudesm-4(15)-ene-1-alpha,6-alpha-diol7-epieudesm-4(15)-ene-1alpha,6alpha-diolent-4(15)-Eudesmene-1β,6α-diol爪哇甲克苔ZHAO WA JIA KE TAIJapanese liverwort4(15)-eudesmene-1β,5α-diol5-epi-eudesm-4(15)-ene-1β,6β-diol7-epieudesm-4(15)-ene-1α,6α-diolCHEMBL461400CHEMBL5038634(15)-Eudesmene-1-beta,5-alpha-diol4(15)-eudesmene-1beta,5alpha-diol

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN011532HBIN013175HBIN025168HBIN009833

Npass

NPC172613NPC2728NPC208299

Tcmid

6908690975017504

Pub Chem

108791951174669514137572

Tcmbank

TCMBANKIN031310TCMBANKIN059212

Etcm Ingredient

5-Epi-eudesm-4(15)-ene-1-beta,6-beta-diol7-Epieudesm-4(15)-ene-1-alpha,6-alpha-diol4(15)-Eudesmene-1-beta,5-alpha-diol

Itcmdb Generated

ITX-INGREDIENT-4742AA2208C0ITX-INGREDIENT-E1B43DD058F1ITX-INGREDIENT-F0D95E111884ITX-INGREDIENT-8C11E540ED3B

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15+/m1/s1InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12-,13+,14-,15+/m1/s1

Mol Wt

238.371

Smiles

CC(C)C1CCC2(C(CCC(=C)C2C1O)O)C

Mol Log P

2.746700000000002

In Ch Ikey

WKKJGHCXVKEJNU-QMIVOQANSA-NWKKJGHCXVKEJNU-SEBNEYGDSA-N

Tcm Name

爪哇甲克苔

Tcm Name2

ZHAO WA JIA KE TAI

Mol2 Path

/TCM_database/2007_3d_all/07502.mol2

Reference

5303

Num Hdonors

Tcm Name En

Japanese liverwort

Drug Likeness

0.69

Num Hacceptors

Isomeric Smiles

CC(C)[C@H]1CC[C@]2([C@@H](CCC(=C)[C@H]2[C@@H]1O)O)CCC(C)[C@H]1CC[C@]2([C@H](CCC(=C)[C@@H]2[C@H]1O)O)C

Canonical Smiles

CC(C)C1CCC2(C(CCC(=C)C2C1O)O)C

Herb Alias Names

CHEMBL461400

Molecular Weight

238.190

Molecular Formula

C15H26O2

Molecular Formula

C15H26O2

Molecular Formula

C15H26O2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.2000.897

Quantitative Estimate Of Drug Likeness（Qed）

0.690