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
- 46368
- Core Entity Id
- 89379
- Source Entity Count
- 1
- Preferred Name
- 25-O-Methoxycimigenol 3-O-α-L-arabinopyranoside
- Name En
- Pubchem Id
- 73128304
- Smiles Canonical
- COC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3O
- Molecular Formula
- C36H58O9
- Molecular Weight
- 634.4100
- Inchikey
- LAOCOVISLMUJNC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C36H58O9/c1-18-15-20-27(31(4,5)41-8)45-36(44-20)26(18)32(6)13-14-35-17-34(35)12-11-23(43-28-25(39)24(38)19(37)16-42-28)30(2,3)21(34)9-10-22(35)33(32,7)29(36)40/h18-29,37-40H,9-17H2,1-8H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.2000
- Num H Donors
- 4
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 127.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
25-O-Methoxycimigenol 3-O-α-L-arabinopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
25-O-Methoxycimigenol 3-O-α-L-arabinopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN021547TCMBANKIN060437
Etcm Ingredient
25-O-Methoxycimigenol 3-O-α-L-arabinopyranoside
Itcmdb Generated
ITX-INGREDIENT-3F481943C759ITX-INGREDIENT-925A69723B7D
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1CC2C(OC3(C1C4(CCC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)C)O2)C(C)(C)OC
Tcm Name
总状升麻
Tcm Name2
ZONG ZHUANG SHENG MA
Mol2 Path
/TCM_database/2007_3d_all/13881.mol2
Reference
4158
Tcm Name En
Racemose Bugbane*
Molecular Weight
634.410
Molecular Formula
C36H58O9
Molecular Formula
C36H58O9
Fda Maximum Daily Dose (Fdamdd)
0.924
Quantitative Estimate Of Drug Likeness（Qed）
0.342