Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33321
- Core Entity Id
- 40228
- Source Entity Count
- 1
- Preferred Name
- Sieversin
- Name En
- Pubchem Id
- 5321309
- Smiles Canonical
- CC1C2C(C=C(C3=CCC(C3C2OC1=O)(C)O)C)OC(=O)C
- Molecular Formula
- C17H22O5
- Molecular Weight
- 306.3580
- Inchikey
- ZUUPMDVKQQZCLY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5,7,9,12-15,20H,6H2,1-4H3
- Isomeric Smiles
- CC1C2C(C=C(C3=CCC(C3C2OC1=O)(C)O)C)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.7530
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sieversin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sieversin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sieversin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sieversin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044000
Npass
NPC44973
Tcmid
19866
Pub Chem
5321309
Tcmbank
TCMBANKIN004460
Etcm Ingredient
Sieversin
Itcmdb Generated
ITX-INGREDIENT-E309A8654244
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5,7,9,12-15,20H,6H2,1-4H3
Mol Wt
306.3580000000001
Smiles
CC1C2C(C=C(C3=CCC(C3C2OC1=O)(C)O)C)OC(=O)C
Mol Log P
1.753
In Ch Ikey
ZUUPMDVKQQZCLY-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.747
Num Hacceptors
5
Isomeric Smiles
CC1C2C(C=C(C3=CCC(C3C2OC1=O)(C)O)C)OC(=O)C
Canonical Smiles
CC1C2C(C=C(C3=CCC(C3C2OC1=O)(C)O)C)OC(=O)C
Molecular Weight
306.150
Molecular Formula
C17H22O5
Molecular Formula
C17H22O5
Molecular Formula
C17H22O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.800
Quantitative Estimate Of Drug Likeness（Qed）
0.747