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
- 33322
- Core Entity Id
- 40229
- Source Entity Count
- 1
- Preferred Name
- Sieversinin
- Name En
- Pubchem Id
- 10966851
- Smiles Canonical
- CC1C2CCC3(C4(O3)CC=C(C4C2OC1=O)C)C
- Molecular Formula
- C15H20O3
- Molecular Weight
- 248.3220
- Inchikey
- CBRKCJOSZHRKFH-HJFKDUGFSA-N
- Inchi
- InChI=1S/C15H20O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,9-12H,5-7H2,1-3H3/t9-,10-,11+,12-,14+,15-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]2CC[C@@]3([C@]4(O3)CC=C([C@@H]4[C@H]2OC1=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.4518
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sieversinin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sieversinin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sieversinin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044001
Npass
NPC293567
Tcmid
19867
Pub Chem
10966851
Tcmbank
TCMBANKIN023423
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,9-12H,5-7H2,1-3H3/t9-,10-,11+,12-,14+,15-/m0/s1
Mol Wt
248.322
Smiles
CC1C2CCC3(C4(O3)CC=C(C4C2OC1=O)C)C
Mol Log P
2.4518
In Ch Ikey
CBRKCJOSZHRKFH-HJFKDUGFSA-N
Num Hdonors
0
Drug Likeness
0.375
Num Hacceptors
3
Isomeric Smiles
C[C@H]1[C@@H]2CC[C@@]3([C@]4(O3)CC=C([C@@H]4[C@H]2OC1=O)C)C
Canonical Smiles
CC1C2CCC3(C4(O3)CC=C(C4C2OC1=O)C)C
Molecular Formula
C15H20O3
Molecular Formula
C15H20O3
Num Rotatable Bonds
0