ITCMDBv1
IngredientID 41258

4(15)-eudesmene-1beta,7alpha-diol

C15H26O2

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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: 2Ingredient: 1Target: 1Links: 4
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
41258
Core Entity Id
84269
Source Entity Count
1
Preferred Name
4(15)-eudesmene-1beta,7alpha-diol
Name En
Pubchem Id
11470456
Smiles Canonical
CC(C)C1(CCC2(C(CCC(=C)C2C1)O)C)O
Molecular Formula
C15H26O2
Molecular Weight
238.3710
Inchikey
SWIPEIJPNVNEPT-YJNKXOJESA-N
Inchi
InChI=1S/C15H26O2/c1-10(2)15(17)8-7-14(4)12(9-15)11(3)5-6-13(14)16/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13+,14+,15-/m0/s1
Isomeric Smiles
CC(C)[C@@]1(CC[C@]2([C@@H](CCC(=C)[C@@H]2C1)O)C)O
Cas Id
Ob Score
Mol Logp
2.8908
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
1-beta,4-alpha-Dihydroxyeudesman-11-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1beta,4alpha-dihydroxyeudesman-11-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1beta,4alpha-dihydroxyeudesman-11-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4(15)-Eudesmene-1-beta,7-alpha-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4(15)-Eudesmene-1β,7β-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4(15)-eudesmene-1beta,7alpha-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4(15)-eudesmene-1beta,7alpha-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
中间锦鸡儿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHONG JIAN JIN JI ER
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Intermediate Peashrub
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,4aS,6S,8aR)-6-isopropyl-8a-methyl-4-methylene-decalin-1,6-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,4aS,6S,8aR)-6-isopropyl-8a-methyl-4-methylene-decalin-1,6-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,4aS,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,4aS,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
1β,4α-dihydroxyeudesman-11-ene
Role
alias
Source
TCMBank
Preferred
No
Name
4(15)-Eudesmene-1I2,7I+--diol
Role
alias
Source
HERB_v2
Preferred
No
Name
4(15)-Eudesmene-1I2,7I+--diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4(15)-Eudesmene-1b,7a-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4(15)-Eudesmene-1b,7a-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
4(15)-eudesmene-1beta,7alpha-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4(15)-eudesmene-1beta,7alpha-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:69846
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:69846
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL501913
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL501913
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138185
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27138185
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

1-beta,4-alpha-Dihydroxyeudesman-11-ene1beta,4alpha-dihydroxyeudesman-11-ene4(15)-Eudesmene-1-beta,7-alpha-diol4(15)-Eudesmene-1β,7β-diol中间锦鸡儿ZHONG JIAN JIN JI ERIntermediate Peashrub(1R,4aS,6S,8aR)-6-isopropyl-8a-methyl-4-methylene-decalin-1,6-diol(1R,4aS,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diol1β,4α-dihydroxyeudesman-11-ene4(15)-Eudesmene-1I2,7I+--diol4(15)-Eudesmene-1b,7a-diolCHEBI:69846CHEMBL501913Q27138185

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN002361HBIN009834
Npass
NPC253303
Tcmid
58877505
Pub Chem
11470456
Tcmbank
TCMBANKIN003952TCMBANKIN042741TCMBANKIN059161
Etcm Ingredient
1-beta,4-alpha-Dihydroxyeudesman-11-ene4(15)-Eudesmene-1-beta,7-alpha-diol
Itcmdb Generated
ITX-INGREDIENT-1141AFCEE9A5ITX-INGREDIENT-3740E3DE7962ITX-INGREDIENT-CAD8D71598BD

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C15H26O2/c1-10(2)15(17)8-7-14(4)12(9-15)11(3)5-6-13(14)16/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13+,14+,15-/m0/s1
Mol Wt
238.371
Smiles
CC(C)C1(CCC2(C(CCC(=C)C2C1)O)C)O
Mol Log P
2.890800000000002
In Ch Ikey
SWIPEIJPNVNEPT-YJNKXOJESA-N
Tcm Name
中间锦鸡儿
Tcm Name2
ZHONG JIAN JIN JI ER
Mol2 Path
/TCM_database/2007_3d_all/07506.mol2/TCM_database/2007_3d_all/07507.mol2
Reference
47864786, 5073
Num Hdonors
2
Tcm Name En
Intermediate Peashrub
Drug Likeness
0.69
Num Hacceptors
2
Isomeric Smiles
CC(C)[C@@]1(CC[C@]2([C@@H](CCC(=C)[C@@H]2C1)O)C)O
Canonical Smiles
CC(C)C1(CCC2(C(CCC(=C)C2C1)O)C)O
Herb Alias Names
4(15)-eudesmene-1beta,7alpha-diolCHEBI:69846(1R,4aS,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diolCHEMBL5019134(15)-Eudesmene-1b,7a-diol4(15)-Eudesmene-1I2,7I+--diolQ27138185(1R,4aS,6S,8aR)-6-isopropyl-8a-methyl-4-methylene-decalin-1,6-diol
Molecular Weight
238.190
Molecular Formula
C15H26O2
Molecular Formula
C15H26O2
Molecular Formula
C15H26O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.8450.983
Quantitative Estimate Of Drug Likeness（Qed）
0.690