IngredientID 34270

Sylvestrene

C10H16

Relationship Network

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Herb: 8Ingredient: 1Target: 5Links: 13

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 34270
Core Entity Id: 41288
Source Entity Count: 1
Preferred Name: Sylvestrene
Name En
Pubchem Id: 12304570
Smiles Canonical: CC1=CCCC(C1)C(=C)C
Molecular Formula: C10H16
Molecular Weight: 136.2380
Inchikey: JWQKMEKSFPNAIB-SNVBAGLBSA-N
Inchi: InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1
Isomeric Smiles: CC1=CCC[C@H](C1)C(=C)C
Cas Id: 644-99-5
Ob Score: 51.2779
Mol Logp: 3.3089
Num H Donors: 0
Num H Acceptors: 0
Num Rotatable Bonds: 1
Drug Likeness: 0.4850
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Sylvestrene

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Sylvestrene

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Sylvestrene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Sylvestrene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Sylvestrene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(+)-Sylvestrene

Role

alias

Source

itcmdb_public

Preferred

Name

(+)-Sylvestrene

Role

alias

Source

HERB_v2

Preferred

Name

(+)-m-Mentha-1(6),8-diene

Role

alias

Source

itcmdb_public

Preferred

Name

(+)-m-Mentha-1(6),8-diene

Role

alias

Source

HERB_v2

Preferred

Name

(+-)-Isosylvestrene

Role

alias

Source

TCMBank

Preferred

Name

(R)-1-methyl-5-(1-methylethenyl)cyclohexene

Role

alias

Source

HERB_v2

Preferred

Name

(r)-1-methyl-5-(1-methylethenyl) cyclohexene

Role

alias

Source

itcmdb_public

Preferred

Name

1-METHYL-3-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE

Role

alias

Source

TCMBank

Preferred

Name

1-Methyl-3-(1-methylethenyl)cyclohexene (+-)-

Role

alias

Source

TCMBank

Preferred

Name

1-methyl-3-prop-1-en-2-ylcyclohexene

Role

alias

Source

TCMBank

Preferred

Name

3-Isopropenyl-1-methyl-1-cyclohexene #

Role

alias

Source

TCMBank

Preferred

Name

3-Isopropenyl-1-methylcyclohexene

Role

alias

Source

TCMBank

Preferred

Name

38738-60-2

Role

alias

Source

TCMBank

Preferred

Name

499-03-6

Role

alias

Source

TCMBank

Preferred

Name

5-Isopropenyl-1-methyl-1-cyclohexene, (R)-

Role

alias

Source

HERB_v2

Preferred

Name

5-Isopropenyl-1-methyl-1-cyclohexene, (R)-

Role

alias

Source

itcmdb_public

Preferred

Name

A23140

Role

alias

Source

TCMBank

Preferred

Name

AC1L1V0T

Role

alias

Source

TCMBank

Preferred

Name

AC1Q2A53

Role

alias

Source

TCMBank

Preferred

Name

Carvestren

Role

alias

Source

TCMBank

Preferred

Name

Carvestrene

Role

alias

Source

TCMBank

Preferred

Name

Cyclohexene, 1-methyl-3-(1-methylethenyl)-, (.+/-.)-

Role

alias

Source

TCMBank

Preferred

Name

D-sylvestrene

Role

alias

Source

HERB_v2

Preferred

Name

D-sylvestrene

Role

alias

Source

itcmdb_public

Preferred

Name

NS00081464

Role

alias

Source

itcmdb_public

Preferred

Name

NS00081464

Role

alias

Source

HERB_v2

Preferred

Name

UXZIDIYMFIBDKT-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

m-Mentha-1,8-diene, (+)-

Role

alias

Source

HERB_v2

Preferred

Name

m-Mentha-1,8-diene, (+)-

Role

alias

Source

itcmdb_public

Preferred

Name

m-Mentha-1,8-diene, (.+/-.)-

Role

alias

Source

TCMBank

Preferred

Name

sylvestrene

Role

alias

Source

TCMBank

Preferred

Name

1-Methyl-5-Isopropenyl Cyclohexene

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

1-methyl-5-isopropenyl cyclohexene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(R)-1-Methyl-5-(1-methylvinyl)cyclohexene

Role

alias

Source

HERB_v2

Preferred

Name

1-methyl-5-(1-methylethenyl)-cyclohexene

Role

alias

Source

TCMBank

Preferred

Name

1-methyl-5-prop-1-en-2-ylcyclohexene

Role

alias

Source

HERB_v2

Preferred

Name

13898-73-2

Role

alias

Source

HERB_v2

Preferred

Name

1461-27-4

Role

alias

Source

itcmdb_public

Preferred

Name

Cyclohexene, 1-methyl-5-(1-methylethenyl)-

Role

alias

Source

HERB_v2

Preferred

Name

Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID101030796

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 215-961-3

Role

alias

Source

HERB_v2

Preferred

Name

JWQKMEKSFPNAIB-UHFFFAOYSA-N

Role

alias

Source

HERB_v2

Preferred

Name

m-Mentha-6,8-diene, (R)-(+)-

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

(+)-Sylvestrene(+)-m-Mentha-1(6),8-diene(+-)-Isosylvestrene(R)-1-methyl-5-(1-methylethenyl)cyclohexene(r)-1-methyl-5-(1-methylethenyl) cyclohexene1-METHYL-3-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE1-Methyl-3-(1-methylethenyl)cyclohexene (+-)-1-methyl-3-prop-1-en-2-ylcyclohexene3-Isopropenyl-1-methyl-1-cyclohexene #3-Isopropenyl-1-methylcyclohexene38738-60-2499-03-65-Isopropenyl-1-methyl-1-cyclohexene, (R)-A23140AC1L1V0TAC1Q2A53CarvestrenCarvestreneCyclohexene, 1-methyl-3-(1-methylethenyl)-, (.+/-.)-D-sylvestreneNS00081464UXZIDIYMFIBDKT-UHFFFAOYSA-Nm-Mentha-1,8-diene, (+)-m-Mentha-1,8-diene, (.+/-.)-1-Methyl-5-Isopropenyl Cyclohexene(R)-1-Methyl-5-(1-methylvinyl)cyclohexene1-methyl-5-(1-methylethenyl)-cyclohexene1-methyl-5-prop-1-en-2-ylcyclohexene13898-73-21461-27-4Cyclohexene, 1-methyl-5-(1-methylethenyl)-Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-DTXSID101030796EINECS 215-961-3JWQKMEKSFPNAIB-UHFFFAOYSA-Nm-Mentha-6,8-diene, (R)-(+)-

Cross References

Trusted external identifiers retained for this final record.

Cas

644-99-51461-27-4

Herb

HBIN045205HBIN002785

Npass

NPC70737

Tcmid

20508

Tcmsp

MOL012941MOL007464

Sym Map

SMIT13657SMIT17837SMIT08896

Pub Chem

12304570102625

Tcmbank

TCMBANKIN016847TCMBANKIN011010

Etcm Ingredient

Sylvestrene1-methyl-5-isopropenyl cyclohexene

Itcmdb Generated

ITX-INGREDIENT-062FC982BE46ITX-INGREDIENT-B5D03BAE92C3

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1

Mol Wt

136.238

Cas Id

644-99-5

Smiles

CC1=CCCC(C1)C(=C)C

Mol Log P

3.308900000000002

Version

v1,v2

In Ch Ikey

JWQKMEKSFPNAIB-SNVBAGLBSA-N

Ob Score

51.2778727251.27787351.278

Suppress

Num Hdonors

Drug Likeness

0.485

Num Hacceptors

Isomeric Smiles

CC1=CCC[C@H](C1)C(=C)C

Molecule Weight

136.26

Canonical Smiles

CC1=CCCC(C1)C(=C)C

Herb Alias Names

(+)-m-Mentha-1(6),8-dieneD-sylvestrene(+)-SylvestreneSylvestrene, (+)-m-Mentha-1,8-diene, (+)-5-Isopropenyl-1-methyl-1-cyclohexene, (R)-NS00081464(R)-1-methyl-5-(1-methylethenyl)cyclohexene(r)-1-methyl-5-(1-methylethenyl) cyclohexene

Molecular Weight

136.130

Molecular Weight

136.23

Molecular Formula

C10H16

Molecular Formula

C10H16

Molecular Formula

C10H16

Num Rotatable Bonds

Link Ingredient Id

13657.0

Fda Maximum Daily Dose (Fdamdd)

0.788

Quantitative Estimate Of Drug Likeness（Qed）

0.485