ITCMDBv1
IngredientID 37176

Zeta-carotene

C40H60

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Herb: 10Ingredient: 1Target: 1Links: 11
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
37176
Core Entity Id
44525
Source Entity Count
1
Preferred Name
Zeta-carotene
Name En
Pubchem Id
5280788
Smiles Canonical
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
Molecular Formula
C40H60
Molecular Weight
540.9200
Inchikey
BIWLELKAFXRPDE-WTXAYMOSSA-N
Inchi
InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
Isomeric Smiles
CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C
Cas Id
Ob Score
Mol Logp
13.3860
Num H Donors
0
Num H Acceptors
0
Num Rotatable Bonds
18
Drug Likeness
0.1200
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Zeta-Carotene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Zeta-carotene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Zeta-carotene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
zeta-Carotene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
zeta-carotene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
Role
alias
Source
HERB_v2
Preferred
No
Name
(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
Role
alias
Source
TCMBank
Preferred
No
Name
(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene
Role
alias
Source
HERB_v2
Preferred
No
Name
(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene
Role
alias
Source
itcmdb_public
Preferred
No
Name
13587-06-9
Role
alias
Source
HERB_v2
Preferred
No
Name
13587-06-9
Role
alias
Source
TCMBank
Preferred
No
Name
13587-06-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
Role
alias
Source
TCMBank
Preferred
No
Name
7,7',8,8'-Tetrahydrolycopene
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,7',8,8'-Tetrahydrolycopene
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8,7',8'-tetrahydro-psi,psi-carotene
Role
alias
Source
TCMBank
Preferred
No
Name
7,8,7',8'-tetrahydro-psi,psi-carotene
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8,7',8'-tetrahydro-psi,psi-carotene
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NQXL2
Role
alias
Source
TCMBank
Preferred
No
Name
BIWLELKAFXRPDE-WTXAYMOSSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
C05430
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:27362
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28068
Role
alias
Source
TCMBank
Preferred
No
Name
Carotene, zeta
Role
alias
Source
HERB_v2
Preferred
No
Name
Carotene, zeta
Role
alias
Source
itcmdb_public
Preferred
No
Name
I(3/4)-Carotene
Role
alias
Source
HERB_v2
Preferred
No
Name
I(3/4)-Carotene
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPR01070256
Role
alias
Source
TCMBank
Preferred
No
Name
LS-187070
Role
alias
Source
TCMBank
Preferred
No
Name
LS-187678
Role
alias
Source
TCMBank
Preferred
No
Name
Zeta-Carotin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Zeta-Carotin
Role
alias
Source
TCMBank
Preferred
No
Name
Zeta-Carotin
Role
alias
Source
HERB_v2
Preferred
No
Name
all-trans-zeta-carotene
Role
alias
Source
itcmdb_public
Preferred
No
Name
all-trans-zeta-carotene
Role
alias
Source
HERB_v2
Preferred
No
Name
all-trans-zeta-carotene
Role
alias
Source
TCMBank
Preferred
No
Name
xi-Carotene
Role
alias
Source
TCMBank
Preferred
No
Name
zeta-Carotene
Role
alias
Source
TCMBank
Preferred
No
Name
ζ-carotene
Role
alias
Source
TCMBank
Preferred
No
Name
美洲酸果萝;胡萝卜;西红柿;番木瓜;玉蜀黍;金雀花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MEI ZHOU SUAN GUO LUO;HU LUO BO;FAN QIE;FAN MU GUA;YU SHU SHU;JIN QUE ER
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
American Cranberry;Carrot;Tomato;Papaya Fruit;Maize;Scotch Broom
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene13587-06-92,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene7,7',8,8'-Tetrahydrolycopene7,8,7',8'-tetrahydro-psi,psi-caroteneAC1NQXL2BIWLELKAFXRPDE-WTXAYMOSSA-NC05430CHEBI:27362CHEBI:28068Carotene, zetaI(3/4)-CaroteneLMPR01070256LS-187070LS-187678Zeta-Carotinall-trans-zeta-carotenexi-Caroteneζ-carotene美洲酸果萝;胡萝卜;西红柿;番木瓜;玉蜀黍;金雀花MEI ZHOU SUAN GUO LUO;HU LUO BO;FAN QIE;FAN MU GUA;YU SHU SHU;JIN QUE ERAmerican Cranberry;Carrot;Tomato;Papaya Fruit;Maize;Scotch Broom

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN048887HBIN049234
Npass
NPC294185
Tcmid
307493215
Sym Map
SMIT19129
Pub Chem
5280788
Tcmbank
TCMBANKIN014003TCMBANKIN058833TCMBANKIN055356
Etcm Ingredient
zeta-Carotene
Itcmdb Generated
ITX-INGREDIENT-7883808C6C07ITX-INGREDIENT-5851E519E6E8

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15+,26-16+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
Mol Wt
540.9200000000004
Smiles
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
Mol Log P
13.38599999999997
Version
v1,v2
In Ch Ikey
BIWLELKAFXRPDE-WTXAYMOSSA-N
Suppress
0
Tcm Name
美洲酸果萝;胡萝卜;西红柿;番木瓜;玉蜀黍;金雀花
Tcm Name2
MEI ZHOU SUAN GUO LUO;HU LUO BO;FAN QIE;FAN MU GUA;YU SHU SHU;JIN QUE ER
Mol2 Path
/TCM_database/2003_3d_all/1211.mol2
Reference
6
Num Hdonors
0
Tcm Name En
American Cranberry;Carrot;Tomato;Papaya Fruit;Maize;Scotch Broom
Drug Likeness
0.12
Num Hacceptors
0
Isomeric Smiles
CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C
Canonical Smiles
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
Herb Alias Names
all-trans-zeta-carotene13587-06-9(6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaeneZeta-CarotinCarotene, zeta7,8,7',8'-tetrahydro-psi,psi-caroteneI(3/4)-Carotene(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene7,7',8,8'-Tetrahydrolycopene
Molecular Weight
540.470
Molecular Weight
540.9 g/mol
Molecular Formula
C40H60
Molecular Formula
C40H60
Molecular Formula
C40H60
Num Rotatable Bonds
18
Fda Maximum Daily Dose (Fdamdd)
0.949
Quantitative Estimate Of Drug Likeness（Qed）
0.120