Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 60929
- Core Entity Id
- 107947
- Source Entity Count
- 1
- Preferred Name
- Kryptoxanthin
- Name En
- Pubchem Id
- 5281235
- Smiles Canonical
- 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
- Molecular Formula
- C40H56O
- Molecular Weight
- 552.4300
- 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+/t36-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 47.2476
- Mol Logp
- 12.3000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kryptoxanthin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
kryptoxanthin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
kryptoxanthin
Itcmdb Generated
ITX-INGREDIENT-DCD2B6573FB5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
47.24762688
Suppress
0
Molecule Weight
552.96
Molecular Weight
552.430
Molecular Formula
C40H56O
Fda Maximum Daily Dose (Fdamdd)
0.935
Quantitative Estimate Of Drug Likeness（Qed）
0.267