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
- 8448
- Core Entity Id
- 12559
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxyxanthone
- Name En
- Pubchem Id
- 102149416
- Smiles Canonical
- COC1=C(C(=C(C2=C1OC3=C(C2=O)C=C(C=C3)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)OC)OC
- Molecular Formula
- C27H32O16
- Molecular Weight
- 612.5370
- Inchikey
- QDCDNUNEKIMTJB-NVSLANFBSA-N
- Inchi
- InChI=1S/C27H32O16/c1-36-23-21-14(15(30)10-6-9(28)4-5-12(10)41-21)22(24(37-2)25(23)38-3)43-27-20(35)18(33)17(32)13(42-27)8-40-26-19(34)16(31)11(29)7-39-26/h4-6,11,13,16-20,26-29,31-35H,7-8H2,1-3H3/t11-,13-,16+,17-,18+,19-,20-,26+,27+/m1/s1
- Isomeric Smiles
- COC1=C(C(=C(C2=C1OC3=C(C2=O)C=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- -1.6804
- Num H Donors
- 7
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxyxanthone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxyxanthone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-hydroxyxanthone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
苏格兰胡桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SU GE LAN HU TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Caledonian Beautyleaf*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苏格兰胡桐SU GE LAN HU TONGCaledonian Beautyleaf*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013294
Tcmid
10831
Pub Chem
102149416
Tcmbank
TCMBANKIN046570
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H32O16/c1-36-23-21-14(15(30)10-6-9(28)4-5-12(10)41-21)22(24(37-2)25(23)38-3)43-27-20(35)18(33)17(32)13(42-27)8-40-26-19(34)16(31)11(29)7-39-26/h4-6,11,13,16-20,26-29,31-35H,7-8H2,1-3H3/t11-,13-,16+,17-,18+,19-,20-,26+,27+/m1/s1
Mol Wt
612.5370000000004
Mol Log P
-1.680399999999998
In Ch Ikey
QDCDNUNEKIMTJB-NVSLANFBSA-N
Tcm Name
苏格兰胡桐
Tcm Name2
SU GE LAN HU TONG
Mol2 Path
/TCM_database/2007_3d_all/10832.mol2
Reference
4995
Num Hdonors
7
Tcm Name En
Caledonian Beautyleaf*
Drug Likeness
0.141
Num Hacceptors
16
Isomeric Smiles
COC1=C(C(=C(C2=C1OC3=C(C2=O)C=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)OC)OC
Canonical Smiles
COC1=C(C(=C(C2=C1OC3=C(C2=O)C=C(C=C3)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)OC)OC
Molecular Formula
C27H32O16
Num Rotatable Bonds
8