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
- 42582
- Core Entity Id
- 85593
- Source Entity Count
- 1
- Preferred Name
- Shiraiachrome B
- Name En
- Pubchem Id
- 3081233
- Smiles Canonical
- CC(=O)C1C2=C(C(=C(C3=CC(=C4C(=CC(=O)C5=C4C3=C2C6=C(C1(C)O)C=C(C(=O)C65)OC)OC)OC)O)O)OC
- Molecular Formula
- C30H26O10
- Molecular Weight
- 546.1500
- Inchikey
- LJZXESCNYAMPIB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H26O10/c1-10(31)25-24-21-17-11(26(33)28(35)29(24)40-6)7-14(37-3)20-15(38-4)9-13(32)19(22(17)20)23-18(21)12(30(25,2)36)8-16(39-5)27(23)34/h7-9,23,25,33,35-36H,1-6H3
- Isomeric Smiles
- Cas Id
- Ob Score
- 20.0641
- Mol Logp
- -1.6000
- Num H Donors
- 3
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 149.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Shiraiachrome B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Shiraiachrome B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
shiraiachrome B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN008469
Etcm Ingredient
shiraiachrome B
Itcmdb Generated
ITX-INGREDIENT-3B703462E962ITX-INGREDIENT-8BECEA2A106F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
20.06411461
Suppress
0
Tcm Name2
ZHU XUANG
Mol2 Path
/TCM_database/2007_3d_all/19835.mol2
Reference
660
Tcm Name En
Bamboo Yellow*
Molecule Weight
546.56
Molecular Weight
546.150
Molecular Formula
C30H26O10
Fda Maximum Daily Dose (Fdamdd)
0.056
Quantitative Estimate Of Drug Likeness（Qed）
0.221