IngredientID 16045

Cyprotene

C14H24

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Herb: 1Ingredient: 1Target: 7Links: 8

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 16045
Core Entity Id: 21003
Source Entity Count: 1
Preferred Name: Cyprotene
Name En
Pubchem Id: 91715050
Smiles Canonical: CC=C1CC2CCC(C1(C2(C)C)C)C
Molecular Formula: C14H24
Molecular Weight: 192.3460
Inchikey: FMOZOFOCONBPNY-RAYWUTBOSA-N
Inchi: InChI=1S/C14H24/c1-6-11-9-12-8-7-10(2)14(11,5)13(12,3)4/h6,10,12H,7-9H2,1-5H3/b11-6+/t10-,12-,14+/m1/s1
Isomeric Smiles: C/C=C/1\C[C@H]2CC[C@H]([C@@]1(C2(C)C)C)C
Cas Id
Ob Score: 56.5040
Mol Logp: 4.4150
Num H Donors: 0
Num H Acceptors: 0
Num Rotatable Bonds: 0
Drug Likeness: 0.4990
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Cyprotene

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Cyprotene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Cyprotene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Cyprotene

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Cyprotene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Cyprotene

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

看麦娘状莎草

Role

TCM_name

Source

TCMBank

Preferred

Name

KAN MAI NIANG ZHUANG SHA CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Foxtail-like Galingale

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octane

Role

alias

Source

HERB_v2

Preferred

Name

(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octane

Role

alias

Source

itcmdb_public

Preferred

Name

(1R,2R,5R,E)-7-Ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octane

Role

alias

Source

itcmdb_public

Preferred

Name

(1R,2R,5R,E)-7-Ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane

Role

alias

Source

HERB_v2

Preferred

Name

193695-14-6

Role

alias

Source

itcmdb_public

Preferred

Name

193695-14-6

Role

alias

Source

HERB_v2

Preferred

Name

Bicyclo(3.2.1)octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R,2R,5R,7E)-

Role

alias

Source

itcmdb_public

Preferred

Name

Bicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R,2R,5R,7E)-

Role

alias

Source

HERB_v2

Preferred

Name

Bicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, [1R-(1.alpha.,2.beta.,5.alpha.,7E)]-

Role

alias

Source

itcmdb_public

Preferred

Name

Bicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, [1R-(1.alpha.,2.beta.,5.alpha.,7E)]-

Role

alias

Source

HERB_v2

Preferred

Name

Q67879822

Role

alias

Source

HERB_v2

Preferred

Name

Q67879822

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

看麦娘状莎草KAN MAI NIANG ZHUANG SHA CAOFoxtail-like Galingale(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octane(1R,2R,5R,E)-7-Ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octane(1R,2R,5R,E)-7-Ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane193695-14-6Bicyclo(3.2.1)octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R,2R,5R,7E)-Bicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R,2R,5R,7E)-Bicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, [1R-(1.alpha.,2.beta.,5.alpha.,7E)]-Q67879822

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN022506

Npass

NPC62135

Tcmid

4586

Tcmsp

MOL004044

Sym Map

SMIT06028

Pub Chem

91715050

Tcmbank

TCMBANKIN045190

Etcm Ingredient

Cyprotene

Itcmdb Generated

ITX-INGREDIENT-A54BF503C77F

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C14H24/c1-6-11-9-12-8-7-10(2)14(11,5)13(12,3)4/h6,10,12H,7-9H2,1-5H3/b11-6+/t10-,12-,14+/m1/s1

Mol Wt

192.346

Mol Log P

4.415000000000004

Version

v1,v2

In Ch Ikey

FMOZOFOCONBPNY-RAYWUTBOSA-N

Ob Score

56.50456.5041049656.504105

Suppress

Tcm Name

看麦娘状莎草

Tcm Name2

KAN MAI NIANG ZHUANG SHA CAO

Mol2 Path

/TCM_database/2007_3d_all/04587.mol2

Reference

5129

Num Hdonors

Tcm Name En

Foxtail-like Galingale

Drug Likeness

0.499

Num Hacceptors

Isomeric Smiles

C/C=C/1\C[C@H]2CC[C@H]([C@@]1(C2(C)C)C)C

Molecule Weight

192.38

Canonical Smiles

CC=C1CC2CCC(C1(C2(C)C)C)C

Herb Alias Names

(1R,2R,5R,E)-7-Ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octaneBicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R,2R,5R,7E)-Bicyclo[3.2.1]octane, 7-ethylidene-1,2,8,8-tetramethyl-, [1R-(1.alpha.,2.beta.,5.alpha.,7E)]-(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octane(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane(1R,2R,5R,E)-7-Ethylidene-1,2,8,8-tetramethylbicyclo(3.2.1)octaneBicyclo(3.2.1)octane, 7-ethylidene-1,2,8,8-tetramethyl-, (1R,2R,5R,7E)-Q67879822193695-14-6

Molecular Weight

192.190

Molecular Weight

192.34 g/mol

Molecular Formula

C14H24

Molecular Formula

C14H24

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.100

Quantitative Estimate Of Drug Likeness（Qed）

0.499