Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 56721
- Core Entity Id
- 99732
- Source Entity Count
- 1
- Preferred Name
- Alpha-Carotene
- Name En
- Pubchem Id
- 24090
- Smiles Canonical
- C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\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@@]2([H])C(C([H])([H])[H])=C([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
- Molecular Formula
- C40H56
- Molecular Weight
- 536.4400
- Inchikey
- ANVAOWXLWRTKGA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 13.6000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-Carotene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
alpha-Carotene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
alpha-Carotene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
西红柿;玉蜀黍;油棕;扁豆;柿蒂;南鹤虱;胡萝卜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GONG TOU CAO;FAN QIE;YU SHU SHU;YOU ZONG;BIAN DOU;SHI DI;NAN HE SHI;HU LUO BO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tomato ;Maize ;Oilpalm ;Hyacinth DoIichos Seed;Persimmon Persistent Calyx ;Wild Carrot Fruit ;Carrot
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
西红柿;玉蜀黍;油棕;扁豆;柿蒂;南鹤虱;胡萝卜GONG TOU CAO;FAN QIE;YU SHU SHU;YOU ZONG;BIAN DOU;SHI DI;NAN HE SHI;HU LUO BOTomato ;Maize ;Oilpalm ;Hyacinth DoIichos Seed;Persimmon Persistent Calyx ;Wild Carrot Fruit ;Carrot
Cross References
Trusted external identifiers retained for this final record.
Cas
86851-60-7
Pub Chem
240904369188
Tcmbank
TCMBANKIN055351
Etcm Ingredient
alpha-Carotene
Itcmdb Generated
ITX-INGREDIENT-C3755BE6318CITX-INGREDIENT-D328FB108E27
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\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@@]2([H])C(C([H])([H])[H])=C([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
Version
v1,v2
Suppress
0
Tcm Name
西红柿;玉蜀黍;油棕;扁豆;柿蒂;南鹤虱;胡萝卜
Tcm Name2
GONG TOU CAO;FAN QIE;YU SHU SHU;YOU ZONG;BIAN DOU;SHI DI;NAN HE SHI;HU LUO BO
Mol2 Path
/TCM_database/2003_3d_all/1204.mol2
Reference
6, 658
Tcm Name En
Tomato ;Maize ;Oilpalm ;Hyacinth DoIichos Seed;Persimmon Persistent Calyx ;Wild Carrot Fruit ;Carrot
Molecular Weight
536.440
Molecular Formula
C40H56
Molecular Formula
C40H56
Fda Maximum Daily Dose (Fdamdd)
0.969
Quantitative Estimate Of Drug Likeness（Qed）
0.192