Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41296
- Core Entity Id
- 84307
- Source Entity Count
- 1
- Preferred Name
- 17β-neriifolin
- Name En
- Pubchem Id
- 137705008
- Smiles Canonical
- CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O
- Molecular Formula
- C30H46O8
- Molecular Weight
- 0.0000
- Inchikey
- VPUNMTHWNSJUOG-ZUYBSCFSSA-N
- Inchi
- InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16?,18-,19?,20?,21-,22-,24?,25?,26?,27?,28+,29-,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.1000
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 115.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
17α-Neriifolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
17β-Neriifolin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
奥道拉姆海杧果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AO DAO LA MU HAI MANG GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Odollam Cerberustree*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
17 beta-neriifolin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
17α-Neriifolin奥道拉姆海杧果AO DAO LA MU HAI MANG GUOOdollam Cerberustree*17 beta-neriifolin
Cross References
Trusted external identifiers retained for this final record.
Pub Chem
137705008
Tcmbank
TCMBANKIN004096TCMBANKIN044839TCMBANKIN060250
Etcm Ingredient
17β-Neriifolin
Itcmdb Generated
ITX-INGREDIENT-A4A480AF7C65ITX-INGREDIENT-CA66D2B92677
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O
Tcm Name
奥道拉姆海杧果
Tcm Name2
AO DAO LA MU HAI MANG GUO
Mol2 Path
/TCM_database/2007_3d_all/15494.mol2/TCM_database/2007_3d_all/15495.mol2
Reference
37774, 5, 2594, 2782, 3777,5038, 5508
Tcm Name En
Odollam Cerberustree*
Molecular Weight
534.320
Molecular Weight
0534.7 g/mol
Molecular Formula
C30H46O8
Molecular Formula
C30H46O8
Fda Maximum Daily Dose (Fdamdd)
0.931
Quantitative Estimate Of Drug Likeness（Qed）
0.426