Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28658
- Core Entity Id
- 35040
- Source Entity Count
- 1
- Preferred Name
- Oripavine
- Name En
- Pubchem Id
- 5462306
- Smiles Canonical
- CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)O)O4)OC
- Molecular Formula
- C18H19NO3
- Molecular Weight
- 297.3540
- Inchikey
- ZKLXUUYLEHCAMF-UUWFMWQGSA-N
- Inchi
- InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1
- Isomeric Smiles
- CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)O)O4)OC
- Cas Id
- 467-04-9
- Ob Score
- Mol Logp
- 2.1215
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oripavine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oripavine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
oripavine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-O-Demethylthebaine
Role
alias
Source
HERB_v2
Preferred
No
Name
3-O-Demethylthebaine
Role
alias
Source
itcmdb_public
Preferred
No
Name
467-04-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
467-04-9
Role
alias
Source
HERB_v2
Preferred
No
Name
575AOU51CR
Role
alias
Source
HERB_v2
Preferred
No
Name
575AOU51CR
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 0046094
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0046094
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:7782
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:7782
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-385-6
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-385-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
IDS-NO-010
Role
alias
Source
HERB_v2
Preferred
No
Name
IDS-NO-010
Role
alias
Source
itcmdb_public
Preferred
No
Name
ORIPAVINE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
ORIPAVINE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-575AOU51CR
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-575AOU51CR
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-O-Demethylthebaine467-04-9575AOU51CRBRN 0046094CHEBI:7782EINECS 207-385-6IDS-NO-010ORIPAVINE [MI]UNII-575AOU51CR
Cross References
Trusted external identifiers retained for this final record.
Cas
467-04-9
Herb
HBIN038278
Npass
NPC124657
Tcm Id
1896
Pub Chem
5462306
Tcmbank
TCMBANKIN032900
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1
Mol Wt
297.354
Cas Id
467-04-9
Smiles
CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)O)O4)OC
Mol Log P
2.1215
In Ch Ikey
ZKLXUUYLEHCAMF-UUWFMWQGSA-N
Num Hdonors
1
Drug Likeness
0.862
Num Hacceptors
4
Isomeric Smiles
CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)O)O4)OC
Canonical Smiles
CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)O)O4)OC
Herb Alias Names
467-04-9EINECS 207-385-6UNII-575AOU51CRBRN 0046094575AOU51CR3-O-DemethylthebaineORIPAVINE [MI]CHEBI:7782IDS-NO-010
Molecular Weight
297.35
Molecular Formula
C18H19NO3
Molecular Formula
C18H19NO3
Num Rotatable Bonds
1