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
- 12737
- Core Entity Id
- 17328
- Source Entity Count
- 1
- Preferred Name
- ５,７′-biphyscion
- Name En
- Pubchem Id
- 189101
- Smiles Canonical
- CC1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C4=C(C=C5C(=C4O)C(=O)C6=C(C=C(C=C6C5=O)C)O)OC)OC)O
- Molecular Formula
- C32H22O10
- Molecular Weight
- 566.5180
- Inchikey
- CMYFTPKBPRIMRP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H22O10/c1-11-5-13-21(17(33)7-11)29(37)23-15(27(13)35)9-19(41-3)25(31(23)39)26-20(42-4)10-16-24(32(26)40)30(38)22-14(28(16)36)6-12(2)8-18(22)34/h5-10,33-34,39-40H,1-4H3
- Isomeric Smiles
- CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 4.3608
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
５,７′-biphyscion
Role
preferred
Source
TCMBank
Preferred
Yes
Name
５,７′-biphyscion
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
５,７′-biphyscion
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-[2,2'-bianthracene]-9,9',10,10'-tetraone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-[2,2'-bianthracene]-9,9',10,10'-tetraone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1,8-dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(1,8-dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
36942-61-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
36942-61-7
Role
alias
Source
HERB_v2
Preferred
No
Name
7,7'-Biphyscion
Role
alias
Source
HERB_v2
Preferred
No
Name
7,7'-Biphyscion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biphyscion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biphyscion
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-226401
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-226401
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID60112931
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60112931
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50190440
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50190440
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-[2,2'-bianthracene]-9,9',10,10'-tetraone2-(1,8-dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione36942-61-77,7'-BiphyscionBiphyscionDB-226401DTXCID60112931DTXSID50190440
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018539
Npass
NPC251707
Tcmid
42694
Pub Chem
189101
Tcmbank
TCMBANKIN010151
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H22O10/c1-11-5-13-21(17(33)7-11)29(37)23-15(27(13)35)9-19(41-3)25(31(23)39)26-20(42-4)10-16-24(32(26)40)30(38)22-14(28(16)36)6-12(2)8-18(22)34/h5-10,33-34,39-40H,1-4H3
Mol Wt
566.5180000000004
Smiles
CC1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)C4=C(C=C5C(=C4O)C(=O)C6=C(C=C(C=C6C5=O)C)O)OC)OC)O
Mol Log P
4.360840000000004
In Ch Ikey
CMYFTPKBPRIMRP-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.242
Num Hacceptors
10
Isomeric Smiles
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC)O
Canonical Smiles
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)C4=C(C=C5C(=C4O)C(=O)C6=C(C5=O)C=C(C=C6O)C)OC)O
Herb Alias Names
7,7'-Biphyscion36942-61-7Biphyscion2-(1,8-dihydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dioneDTXSID501904401,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-[2,2'-bianthracene]-9,9',10,10'-tetraoneDTXCID60112931DB-226401
Molecular Formula
C32H22O10
Molecular Formula
C32H22O10
Num Rotatable Bonds
3