Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 9Links: 21
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17317
- Core Entity Id
- 22417
- Source Entity Count
- 1
- Preferred Name
- Diop
- Name En
- Pubchem Id
- 395120
- Smiles Canonical
- CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C
- Molecular Formula
- C31H32O2P2
- Molecular Weight
- 498.5430
- Inchikey
- VCHDBLPQYJAQSQ-KYJUHHDHSA-N
- Inchi
- InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1
- Isomeric Smiles
- CC1(O[C@H]([C@@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C
- Cas Id
- 25103-50-8
- Ob Score
- 43.5930
- Mol Logp
- 5.7723
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Diop
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Diop
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Diop
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene))bis(diphenylphosphine)
Role
alias
Source
itcmdb_public
Preferred
No
Name
(((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene))bis(diphenylphosphine)
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Diop
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Diop
Role
alias
Source
HERB_v2
Preferred
No
Name
(4R,5R)-(-)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4R,5R)-(-)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane
Role
alias
Source
HERB_v2
Preferred
No
Name
(R,R)-Diop
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R,R)-Diop
Role
alias
Source
HERB_v2
Preferred
No
Name
32305-98-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
32305-98-9
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 250-984-2
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 250-984-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
ESK57W53CI
Role
alias
Source
HERB_v2
Preferred
No
Name
ESK57W53CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-ESK57W53CI
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-ESK57W53CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
rac-diop
Role
alias
Source
HERB_v2
Preferred
No
Name
rac-diop
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene))bis(diphenylphosphine)(-)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane(-)-Diop(4R,5R)-(-)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane(R,R)-Diop32305-98-9EINECS 250-984-2ESK57W53CIUNII-ESK57W53CIrac-diop
Cross References
Trusted external identifiers retained for this final record.
Cas
25103-50-8
Herb
HBIN024112
Npass
NPC270699
Tcmid
32992405936188
Tcmsp
MOL002879
Sym Map
SMIT05048SMIT15142
Tcm Id
22421
Pub Chem
395120
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3/t29-,30-/m0/s1
Mol Wt
498.5430000000002
Cas Id
25103-50-8
Mol Log P
5.772300000000006
Version
v1,v2
In Ch Ikey
VCHDBLPQYJAQSQ-KYJUHHDHSA-N
Ob Score
43.59343.59332547
Suppress
0
Num Hdonors
0
Drug Likeness
0.287
Num Hacceptors
2
Isomeric Smiles
CC1(O[C@H]([C@@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C
Molecule Weight
390.62
Canonical Smiles
CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C
Herb Alias Names
32305-98-9(-)-Diop(4R,5R)-(-)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane(((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene))bis(diphenylphosphine)(R,R)-Dioprac-diopUNII-ESK57W53CIESK57W53CI(-)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butaneEINECS 250-984-2
Molecular Formula
C31H32O2P2
Num Rotatable Bonds
8