Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15198
- Core Entity Id
- 20058
- Source Entity Count
- 1
- Preferred Name
- Coriamyrtin
- Name En
- Pubchem Id
- 118701340
- Smiles Canonical
- CC(=C)C1C2CC3(C4(CO4)C5C(C3(C1C(=O)O2)O)O5)C
- Molecular Formula
- C15H18O5
- Molecular Weight
- 278.3040
- Inchikey
- BWWDLKVKPVKBGJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3
- Isomeric Smiles
- CC(=C)C1C2CC3(C4(CO4)C5C(C3(C1C(=O)O2)O)O5)C
- Cas Id
- Ob Score
- Mol Logp
- 0.4114
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coriamyrtin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Coriamyrtin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coriamyrtin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
coriamyrtin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2571-86-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
2571-86-0
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC337768
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC337768
Role
alias
Source
HERB_v2
Preferred
No
Name
Spiro(2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran)-3(2H)-one, hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-, (1aS-(1a.alpha.,1b.beta.,2.beta.,5.beta.,6a.beta.,7.beta.,7a.alpha.,8S*))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spiro(2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran)-3(2H)-one, hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-, (1aS-(1a.alpha.,1b.beta.,2.beta.,5.beta.,6a.beta.,7.beta.,7a.alpha.,8S*))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Spiro[2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2.alpha.H)-one, 1a.beta.,1b,5.alpha.,6,6a,7a.beta.-hexahydro-1b.alpha.-hydroxy-8.alpha.-isopropenyl-6a.alpha.-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Spiro[2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2.alpha.H)-one, 1a.beta.,1b,5.alpha.,6,6a,7a.beta.-hexahydro-1b.alpha.-hydroxy-8.alpha.-isopropenyl-6a.alpha.-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
WLN: T D3 C575 A EO GX KOVTJ AY1&U1 CQ H1 G-& BT3OTJ
Role
alias
Source
HERB_v2
Preferred
No
Name
WLN: T D3 C575 A EO GX KOVTJ AY1&U1 CQ H1 G-& BT3OTJ
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-hydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one2571-86-0NSC337768Spiro(2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran)-3(2H)-one, hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-, (1aS-(1a.alpha.,1b.beta.,2.beta.,5.beta.,6a.beta.,7.beta.,7a.alpha.,8S*))-Spiro[2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2.alpha.H)-one, 1a.beta.,1b,5.alpha.,6,6a,7a.beta.-hexahydro-1b.alpha.-hydroxy-8.alpha.-isopropenyl-6a.alpha.-methyl-WLN: T D3 C575 A EO GX KOVTJ AY1&U1 CQ H1 G-& BT3OTJ
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021464
Tcmid
4051
Tcm Id
1980822181
Pub Chem
118701340433737
Tcmbank
TCMBANKIN016305
Etcm Ingredient
Coriamyrtin
Itcmdb Generated
ITX-INGREDIENT-D92619EBEF3C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O5/c1-6(2)8-7-4-13(3)14(5-18-14)10-11(20-10)15(13,17)9(8)12(16)19-7/h7-11,17H,1,4-5H2,2-3H3
Mol Wt
278.304
Smiles
CC(=C)C1C2CC3(C4(CO4)C5C(C3(C1C(=O)O2)O)O5)C
Mol Log P
0.4113999999999998
In Ch Ikey
BWWDLKVKPVKBGJ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.427
Num Hacceptors
5
Isomeric Smiles
CC(=C)C1C2CC3(C4(CO4)C5C(C3(C1C(=O)O2)O)O5)C
Canonical Smiles
CC(=C)C1C2CC3(C4(CO4)C5C(C3(C1C(=O)O2)O)O5)C
Herb Alias Names
2571-86-0NSC337768Spiro(2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran)-3(2H)-one, hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-, (1aS-(1a.alpha.,1b.beta.,2.beta.,5.beta.,6a.beta.,7.beta.,7a.alpha.,8S*))-Spiro[2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one, hexahydro-1b-hydroxy-6a-methyl-8-(1-methylethenyl)-, [1aS-(1a.alpha.,1b.beta.,2.beta.,5.beta.,6a.beta.,7.beta.,7a.alpha.,8S*)]-2-hydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-oneWLN: T D3 C575 A EO GX KOVTJ AY1&U1 CQ H1 G-& BT3OTJSpiro[2,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2.alpha.H)-one, 1a.beta.,1b,5.alpha.,6,6a,7a.beta.-hexahydro-1b.alpha.-hydroxy-8.alpha.-isopropenyl-6a.alpha.-methyl-
Molecular Weight
278.120
Molecular Weight
278.3 g/mol
Molecular Formula
C15H18O5
Molecular Formula
C15H18O5
Molecular Formula
C15H18O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.736
Quantitative Estimate Of Drug Likeness（Qed）
0.427