ITCMDBv1
IngredientID 12358

Cryptoxanthin

C40H56O

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Trial: 3Herb: 12Ingredient: 1Meta-analysis: 2Reference: 1Target: 11Links: 29
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
12358
Core Entity Id
16906
Source Entity Count
1
Preferred Name
Cryptoxanthin
Name En
Pubchem Id
182237
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])\C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])[C@]1([H])O[H]
Molecular Formula
C40H56O
Molecular Weight
552.8870
Inchikey
DMASLKHVQRHNES-FKKUPVFPSA-N
Inchi
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
Isomeric Smiles
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CC(CC2(C)C)O)C)/C)/C
Cas Id
Ob Score
25.1571
Mol Logp
11.5766
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
10
Drug Likeness
0.2670
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Cryptoxanthin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cryptoxanthin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cryptoxanthin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Β-cryptoxanthin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
宁夏枸杞子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
隐黄质
Role
TCM_name
Source
TCMBank
Preferred
No
Name
马蹄叶;宁夏枸杞子;黄百合;番木瓜;玉蜀黍;酸浆;枸杞子;红海椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NING XIA GOU QI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Barbary Wolfberry Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Common MarsharigoId;Barbary WoIfberry Fruit;Hanson LiIy ;Papaya Fruit ;Maize ;Japanese-lantern ;Chinese WoIfberry Fruit;Sweet Pepper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+/-)-All-trans-beta-caroten-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-All-trans-beta-caroten-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+/-)-cryptoxanthin
Role
alias
Source
itcmdb_public
Preferred
No
Name
177RP9H0XI
Role
alias
Source
HERB_v2
Preferred
No
Name
177RP9H0XI
Role
alias
Source
itcmdb_public
Preferred
No
Name
31272-51-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
31272-51-2
Role
alias
Source
HERB_v2
Preferred
No
Name
472-70-8
Role
alias
Source
HERB_v2
Preferred
No
Name
472-70-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caricaxanthin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caricaxanthin
Role
alias
Source
HERB_v2
Preferred
No
Name
Cryptoxanthin (+/-)-form [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
Cryptoxanthin (+/-)-form [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cryptoxanthin, (+/-)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cryptoxanthine
Role
alias
Source
HERB_v2
Preferred
No
Name
Cryptoxanthine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cryptoxanthol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cryptoxanthol
Role
alias
Source
HERB_v2
Preferred
No
Name
Kryptoxanthin
Role
alias
Source
HERB_v2
Preferred
No
Name
Kryptoxanthin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Neocryptoxanthin
Role
alias
Source
HERB_v2
Preferred
No
Name
Neocryptoxanthin
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-177RP9H0XI
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-177RP9H0XI
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthrophyll 1
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthrophyll 1
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta,beta-Caroten-3'-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
beta,beta-Caroten-3'-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta,beta-Caroten-3-ol, cis-
Role
alias
Source
HERB_v2
Preferred
No
Name
beta,beta-Caroten-3-ol, cis-
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Caroten-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Caroten-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Cryptoxanthin
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Cryptoxanthin
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Β-cryptoxanthin宁夏枸杞子隐黄质马蹄叶;宁夏枸杞子;黄百合;番木瓜;玉蜀黍;酸浆;枸杞子;红海椒NING XIA GOU QI ZIBarbary Wolfberry FruitCommon MarsharigoId;Barbary WoIfberry Fruit;Hanson LiIy ;Papaya Fruit ;Maize ;Japanese-lantern ;Chinese WoIfberry Fruit;Sweet Pepper(+/-)-All-trans-beta-caroten-3-ol(+/-)-cryptoxanthin177RP9H0XI31272-51-2472-70-8CaricaxanthinCryptoxanthin (+/-)-form [MI]Cryptoxanthin, (+/-)-CryptoxanthineCryptoxantholKryptoxanthinNeocryptoxanthinUNII-177RP9H0XIXanthrophyll 1beta,beta-Caroten-3'-olbeta,beta-Caroten-3-ol, cis-beta-Caroten-3-olbeta-Cryptoxanthin

Cross References

Trusted external identifiers retained for this final record.

Cas
472-70-8
Hit
C0743
Herb
HBIN018032HBIN021796HBIN032290
Npass
NPC164487NPC2660
Tcmid
23130237414292
Tcmsp
MOL003059MOL009674
Sym Map
SMIT00297SMIT05195SMIT14803
Tcm Id
153531535415355153561535715358153591536015590155911800718008180091801022237222385419
Pub Chem
18223752812356384256
Tcmbank
TCMBANKIN040698TCMBANKIN055531TCMBANKIN059710
Itcmdb Generated
ITX-INGREDIENT-3470990EBDEBITX-INGREDIENT-914D4BA84B25ITX-INGREDIENT-FC6094140385

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
Mol Wt
552.8870000000003
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])\C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])[C@]1([H])O[H]CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
Mol Log P
11.57659999999998
Version
v1,v2
In Ch Ikey
DMASLKHVQRHNES-FKKUPVFPSA-NDMASLKHVQRHNES-QQGJMDNJSA-N
Ob Score
25.1570666325.15706663;47.2476268825.157067;47.247627
Suppress
0
Tcm Name
宁夏枸杞子隐黄质马蹄叶;宁夏枸杞子;黄百合;番木瓜;玉蜀黍;酸浆;枸杞子;红海椒
Tcm Name2
MA TI YENING XIA GOU QI ZI
Mol2 Path
/TCM_database/2003_3d_all/1729.mol2/TCM_database/2007_3d_all/04293.mol2
Reference
2, 658, 660
Num Hdonors
1
Tcm Name En
Barbary Wolfberry FruitCommon MarsharigoId;Barbary WoIfberry Fruit;Hanson LiIy ;Papaya Fruit ;Maize ;Japanese-lantern ;Chinese WoIfberry Fruit;Sweet Pepper
Drug Likeness
0.267
Num Hacceptors
1
Isomeric Smiles
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CC(CC2(C)C)O)C)/C)/CCC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C
Molecule Weight
552.96
Canonical Smiles
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
Herb Alias Names
Cryptoxanthin, (+/-)-beta,beta-Caroten-3'-olCryptoxanthin (+/-)-form [MI]UNII-177RP9H0XI(+/-)-All-trans-beta-caroten-3-ol177RP9H0XI31272-51-2beta,beta-Caroten-3-ol, (+/-)-beta,beta-Caroten-3-ol, cis-(+/-)-cryptoxanthin
Molecular Weight
552.87
Molecule Formula
C40H56O
Molecular Formula
C40H56O
Molecular Formula
C40H56O
Num Rotatable Bonds
10