ITCMDBv1
IngredientID 23374

Juniper camphor

C15H26O

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Herb: 12Ingredient: 1Target: 11Links: 23
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
23374
Core Entity Id
29165
Source Entity Count
1
Preferred Name
Juniper camphor
Name En
Pubchem Id
521214
Smiles Canonical
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C
Molecular Formula
C15H26O
Molecular Weight
222.3720
Inchikey
STRABSCAWZINIF-UHFFFAOYSA-N
Inchi
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3
Isomeric Smiles
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C
Cas Id
Ob Score
33.2966
Mol Logp
4.0641
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
0
Drug Likeness
0.6130
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Juniper Camphor
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Juniper Camphor
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Juniper camphor
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Juniper camphor
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Juniper camphor
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Juniper camphor
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
香杨梅
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG YANG MEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bog-myrtle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Selin-7(11)-en-4.alpha.-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Selin-7(11)-en-4.alpha.-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4a-Dimethyl-7-(1-methylethylidene)decahydro-1-naphthalenol #
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4a-Dimethyl-7-(1-methylethylidene)decahydro-1-naphthalenol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4a-dimethyl-7-(propan-2-ylidene)-decahydronaphthalen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4a-dimethyl-7-(propan-2-ylidene)-decahydronaphthalen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
53840-55-4
Role
alias
Source
HERB_v2
Preferred
No
Name
53840-55-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
7(11)-Selinen-4.alpha.-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
7(11)-Selinen-4.alpha.-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:167358
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:167358
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50334584
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50334584
Role
alias
Source
HERB_v2
Preferred
No
Name
STRABSCAWZINIF-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
STRABSCAWZINIF-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
Eudesm-7(11)-en-4-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
eudesm-7(11)-en-4-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Juniper camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4aS,8aS)-Decahydro-1,4a-dimethyl-7-(1-methylethylidene)-1-naphthalenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1.alpha.,4a.beta.,8a.alpha.)]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1S-(1alpha,4abeta,8aalpha)]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
STRABSCAWZINIF-FGRDXJNISA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4Ar,8Ar)-7-Isopropylidene-1,4A-Dimethyl-1-Decalinol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1S,4As,8As)-7-Isopropylidene-1,4A-Dimethyl-1-Decalinol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1S,4aR,8aR)-7-isopropylidene-1,4a-dimethyl-1-decalinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-1-decalinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1s,4ar,8ar)-7-isopropylidene-1,4a-dimethyl-1-decalinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1s,4as,8as)-7-isopropylidene-1,4a-dimethyl-1-decalinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1S,4aR,8aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4aR,8aR)-7-isopropylidene-1,4a-dimethyl-decalin-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4aS,8aS)-1,4a-dimethyl-7-(propan-2-ylidene)decahydronaphthalen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-decalin-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1S-(1,4a,8a)]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
186374-63-0
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032962146
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10512
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16567846
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL17850735
Role
alias
Source
HERB_v2
Preferred
No
Name
enantio-7(11)-Eudesmen-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0003985
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

香杨梅XIANG YANG MEIBog-myrtle(+)-Selin-7(11)-en-4.alpha.-ol1,4a-Dimethyl-7-(1-methylethylidene)decahydro-1-naphthalenol #1,4a-dimethyl-7-(propan-2-ylidene)-decahydronaphthalen-1-ol1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol53840-55-47(11)-Selinen-4.alpha.-olCHEBI:167358DTXSID50334584STRABSCAWZINIF-UHFFFAOYSA-NEudesm-7(11)-en-4-ol(+)-Juniper camphor(1S,4aS,8aS)-Decahydro-1,4a-dimethyl-7-(1-methylethylidene)-1-naphthalenol1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1.alpha.,4a.beta.,8a.alpha.)]-1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1S-(1alpha,4abeta,8aalpha)]-STRABSCAWZINIF-FGRDXJNISA-N(1S,4Ar,8Ar)-7-Isopropylidene-1,4A-Dimethyl-1-Decalinol(1S,4As,8As)-7-Isopropylidene-1,4A-Dimethyl-1-Decalinol(1S,4aR,8aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol(1S,4aR,8aR)-7-isopropylidene-1,4a-dimethyl-decalin-1-ol(1S,4aS,8aS)-1,4a-dimethyl-7-(propan-2-ylidene)decahydronaphthalen-1-ol(1S,4aS,8aS)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol(1S,4aS,8aS)-7-isopropylidene-1,4a-dimethyl-decalin-1-ol1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1S-(1,4a,8a)]-186374-63-0AKOS032962146FS-10512SCHEMBL16567846SCHEMBL17850735enantio-7(11)-Eudesmen-4-olstarbld0003985

Cross References

Trusted external identifiers retained for this final record.

Cas
473-04-1
Herb
HBIN031662HBIN026038HBIN003262HBIN003272
Npass
NPC212208
Tcmid
119633980536862
Tcmsp
MOL000047MOL004282MOL012441
Sym Map
SMIT00387SMIT06228SMIT13193
Tcm Id
3262
Pub Chem
5212146432454171532322211695
Tcmbank
TCMBANKIN045485TCMBANKIN058727TCMBANKIN001797TCMBANKIN005558
Etcm Ingredient
Juniper camphor
Itcmdb Generated
ITX-INGREDIENT-D8AD00412EF2ITX-INGREDIENT-EEC01F848790

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3
Mol Wt
222.372
Smiles
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C
Mol Log P
4.064100000000003
Version
v1,v2
In Ch Ikey
STRABSCAWZINIF-UHFFFAOYSA-N
Ob Score
33.2966085233.297
Suppress
0
Tcm Name
香杨梅
Tcm Name2
XIANG YANG MEI
Mol2 Path
/TCM_database/2007_3d_all/11966.mol2
Reference
661
Num Hdonors
1
Tcm Name En
Bog-myrtle
Drug Likeness
0.613
Num Hacceptors
1
Isomeric Smiles
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C
Molecule Weight
222.41
Canonical Smiles
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C
Herb Alias Names
7(11)-Selinen-4.alpha.-ol(+)-Selin-7(11)-en-4.alpha.-ol53840-55-41,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol1,4a-Dimethyl-7-(1-methylethylidene)decahydro-1-naphthalenol #DTXSID50334584CHEBI:167358STRABSCAWZINIF-UHFFFAOYSA-N1,4a-dimethyl-7-(propan-2-ylidene)-decahydronaphthalen-1-ol
Molecular Weight
222.200
Molecular Weight
222.37 g/mol
Molecule Formula
C15H26O
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.613