Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 1Herb: 12Ingredient: 1Reference: 11Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25151
- Core Entity Id
- 31149
- Source Entity Count
- 1
- Preferred Name
- Lyc
- Name En
- Pubchem Id
- 446925
- Smiles Canonical
- C([H])([H])([H])\C(\C([H])([H])[H])=C([H])\C([H])([H])C([H])([H])\C(\C([H])([H])[H])=C([H])\C([H])=C([H])\C(\C([H])([H])[H])=C([H])/C([H])=C([H])\C(\C([H])([H])[H])=C([H])\C([H])=C([H])\C([H])=C(/C([H ])([H])[H])\C([H])=C([H])/C([H])=C(/C([H])([H])[H])\C([H])=C([H])\C([H])=C(\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])/C([H])([H])[H]
- Molecular Formula
- C40H56
- Molecular Weight
- 536.8880
- Inchikey
- OAIJSZIZWZSQBC-GYZMGTAESA-N
- Inchi
- InChI=1S/C40H56/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/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
- Isomeric Smiles
- CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C
- Cas Id
- 502-65-8
- Ob Score
- 32.5739
- Mol Logp
- 12.9380
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.1360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycopene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lyc
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lyc
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lyc
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lycopene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lycopene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycopene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lycopene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lycopene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
西红柿;苦瓜;金盏菊;犬齿蔷薇;柿蒂;南鹤虱;瑞典甘蓝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FAN QIE;KU GUA;JIN ZHAN JU;QUAN CHI QIANG WEI;SHI DI;NAN HE SHI;RUI DIAN GAN LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tomato;Balsampear;Potmarigold Calendula;Dog Rose;Persimmon Persistent Calyx;Wild Carrot Fruit;Swedish Turnip
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
Role
alias
Source
TCMBank
Preferred
No
Name
.psi.,.psi.-Carotene
Role
alias
Source
SymMap_v2
Preferred
No
Name
.psi.,.psi.-Carotene
Role
alias
Source
TCMBank
Preferred
No
Name
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
Role
alias
Source
TCMBank
Preferred
No
Name
2,8,10,12,14,16,18,20,22,24,26,30-Dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (all-E)-
Role
alias
Source
TCMBank
Preferred
No
Name
2,8,10,12,14,16,18,20,22,24,26,30-Dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (all-E)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
502-65-8
Role
alias
Source
TCMBank
Preferred
No
Name
502-65-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
502-65-8
Role
alias
Source
HERB_v2
Preferred
No
Name
BSPBio_003389
Role
alias
Source
TCMBank
Preferred
No
Name
C05432
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 7925
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15948
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1984187
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL1984187
Role
alias
Source
TCMBank
Preferred
No
Name
CI 75125
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 207-949-1
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_002146
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004714
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_007282
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002892
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_002563
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_002146
Role
alias
Source
TCMBank
Preferred
No
Name
L9879_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
LMPR01070257
Role
alias
Source
TCMBank
Preferred
No
Name
LYC
Role
alias
Source
TCMBank
Preferred
No
Name
LYCOPENE
Role
alias
Source
itcmdb_public
Preferred
No
Name
LYCOPENE
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopene (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Lycopene 7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycopene 7
Role
alias
Source
TCMBank
Preferred
No
Name
Lycopene 7
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopene all-trans-
Role
alias
Source
TCMBank
Preferred
No
Name
Lycopene, all-trans- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Mexoryl SAQ
Role
alias
Source
HERB_v2
Preferred
No
Name
Mexoryl SAQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00166291-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_003882
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-407322
Role
alias
Source
TCMBank
Preferred
No
Name
NSC407322
Role
alias
Source
SymMap_v2
Preferred
No
Name
Natural yellow 27
Role
alias
Source
TCMBank
Preferred
No
Name
Psi,psi-carotene
Role
alias
Source
HERB_v2
Preferred
No
Name
Psi,psi-carotene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Redivivo
Role
alias
Source
HERB_v2
Preferred
No
Name
Redivivo
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum3_001805
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001998
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001666
Role
alias
Source
TCMBank
Preferred
No
Name
Tomat-O-Red
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tomat-O-Red
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC73316185
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC73316185
Role
alias
Source
SymMap_v2
Preferred
No
Name
all-trans-Lycopene
Role
alias
Source
TCMBank
Preferred
No
Name
all-trans-Lycopene
Role
alias
Source
itcmdb_public
Preferred
No
Name
all-trans-Lycopene
Role
alias
Source
HERB_v2
Preferred
No
Name
lycopene
Role
alias
Source
TCMBank
Preferred
No
Name
lycored
Role
alias
Source
HERB_v2
Preferred
No
Name
lycored
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-Lycopene
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Lycopene
Role
alias
Source
TCMBank
Preferred
No
Name
trans-Lycopene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Lycopene西红柿;苦瓜;金盏菊;犬齿蔷薇;柿蒂;南鹤虱;瑞典甘蓝FAN QIE;KU GUA;JIN ZHAN JU;QUAN CHI QIANG WEI;SHI DI;NAN HE SHI;RUI DIAN GAN LANTomato;Balsampear;Potmarigold Calendula;Dog Rose;Persimmon Persistent Calyx;Wild Carrot Fruit;Swedish Turnip(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene.psi.,.psi.-Carotene2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene2,8,10,12,14,16,18,20,22,24,26,30-Dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (all-E)-502-65-8BSPBio_003389C05432CCRIS 7925CHEBI:15948CHEMBL1984187CI 75125EINECS 207-949-1KBio2_002146KBio2_004714KBio2_007282KBio3_002892KBioGR_002563KBioSS_002146L9879_SIGMALMPR01070257Lycopene (VAN)Lycopene 7Lycopene all-trans-Lycopene, all-trans- (8CI)Mexoryl SAQNCGC00166291-01NCI60_003882NSC-407322NSC407322Natural yellow 27Psi,psi-caroteneRedivivoSpectrum3_001805Spectrum4_001998Spectrum_001666Tomat-O-RedZINC73316185all-trans-Lycopenelycoredtrans-Lycopene
Cross References
Trusted external identifiers retained for this final record.
Cas
502-65-8
Hit
C0200
Herb
HBIN033898HBIN033972
Npass
NPC173592NPC99088
Tcmid
13205
Tcmsp
MOL010267
Sym Map
SMIT11326SMIT16376
Tcm Id
18481184822034020341
Pub Chem
446925
Tcmbank
TCMBANKIN053441TCMBANKIN058821
Etcm Ingredient
Lycopene
Itcmdb Generated
ITX-INGREDIENT-1C246CC93EA8ITX-INGREDIENT-D75AC6453B28
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C40H56/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/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
Mol Wt
536.8880000000004
Cas Id
502-65-8
Smiles
C([H])([H])([H])\C(\C([H])([H])[H])=C([H])\C([H])([H])C([H])([H])\C(\C([H])([H])[H])=C([H])\C([H])=C([H])\C(\C([H])([H])[H])=C([H])/C([H])=C([H])\C(\C([H])([H])[H])=C([H])\C([H])=C([H])\C([H])=C(/C([H
])([H])[H])\C([H])=C([H])/C([H])=C(/C([H])([H])[H])\C([H])=C([H])\C([H])=C(\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])/C([H])([H])[H]CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
Mol Log P
12.93799999999998
Version
v1,v2
In Ch Ikey
OAIJSZIZWZSQBC-GYZMGTAESA-N
Ob Score
32.5739180932.574
Suppress
0
Tcm Name
西红柿;苦瓜;金盏菊;犬齿蔷薇;柿蒂;南鹤虱;瑞典甘蓝
Tcm Name2
FAN QIE;KU GUA;JIN ZHAN JU;QUAN CHI QIANG WEI;SHI DI;NAN HE SHI;RUI DIAN GAN LAN
Mol2 Path
/TCM_database/2003_3d_all/5031.mol2
Reference
658, 1582, 1834, 1835, 1836, 1837, 1838, 1839, 1840
Num Hdonors
0
Tcm Name En
Tomato;Balsampear;Potmarigold Calendula;Dog Rose;Persimmon Persistent Calyx;Wild Carrot Fruit;Swedish Turnip
Drug Likeness
0.136
Num Hacceptors
0
Isomeric Smiles
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C
Molecule Weight
536.96
Canonical Smiles
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
Herb Alias Names
LYCOPENE502-65-8all-trans-LycopenePsi,psi-carotenetrans-LycopeneLycopene 7lycoredRedivivoMexoryl SAQTomat-O-Red
Molecular Weight
536.440
Molecular Weight
536.9 g/mol
Molecular Formula
C40H56
Molecular Formula
C40H56
Molecular Formula
C40H56
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.948
Quantitative Estimate Of Drug Likeness（Qed）
0.136