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
- 8161
- Core Entity Id
- 12243
- Source Entity Count
- 1
- Preferred Name
- 7,8-epoxy-8-epi-loganicacid
- Name En
- Pubchem Id
- 10761921
- Smiles Canonical
- CC12C(O1)CC3C2C(OC=C3C(=O)O)OC4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C16H22O10
- Molecular Weight
- 374.3420
- Inchikey
- DYJXNICFFHYULW-UKJXUXBJSA-N
- Inchi
- InChI=1S/C16H22O10/c1-16-8(26-16)2-5-6(13(21)22)4-23-14(9(5)16)25-15-12(20)11(19)10(18)7(3-17)24-15/h4-5,7-12,14-15,17-20H,2-3H2,1H3,(H,21,22)/t5-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
- Isomeric Smiles
- C[C@@]12[C@@H](O1)C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.0787
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,8-epoxy-8-epi-loganicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,8-epoxy-8-epi-loganicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,8-epoxy-8-epi-loganicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012992
Tcmid
7089
Pub Chem
10761921
Tcmbank
TCMBANKIN003564
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H22O10/c1-16-8(26-16)2-5-6(13(21)22)4-23-14(9(5)16)25-15-12(20)11(19)10(18)7(3-17)24-15/h4-5,7-12,14-15,17-20H,2-3H2,1H3,(H,21,22)/t5-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
Mol Wt
374.3420000000001
Smiles
CC12C(O1)CC3C2C(OC=C3C(=O)O)OC4C(C(C(C(O4)CO)O)O)O
Mol Log P
-2.078699999999997
In Ch Ikey
DYJXNICFFHYULW-UKJXUXBJSA-N
Num Hdonors
5
Drug Likeness
0.346
Num Hacceptors
9
Isomeric Smiles
C[C@@]12[C@@H](O1)C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
CC12C(O1)CC3C2C(OC=C3C(=O)O)OC4C(C(C(C(O4)CO)O)O)O
Molecular Weight
374.34 g/mol
Molecular Formula
C16H22O10
Molecular Formula
C16H22O10
Num Rotatable Bonds
4