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
- 33571
- Core Entity Id
- 40508
- Source Entity Count
- 1
- Preferred Name
- Solaplumbinine
- Name En
- Pubchem Id
- 6326058
- Smiles Canonical
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(OC(C(C7O)O)O)C)C)C)C)NC1
- Molecular Formula
- C33H53NO6
- Molecular Weight
- 559.7880
- Inchikey
- VYHNQVWYSKZMIW-KSDMZOFFSA-N
- Inchi
- InChI=1S/C33H53NO6/c1-17-8-13-33(34-16-17)18(2)26-25(40-33)15-24-22-7-6-20-14-21(39-29-19(3)38-30(37)28(36)27(29)35)9-11-31(20,4)23(22)10-12-32(24,26)5/h6,17-19,21-30,34-37H,7-16H2,1-5H3/t17-,18+,19+,21+,22-,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@@H]7[C@@H](O[C@H]([C@@H]([C@@H]7O)O)O)C)C)C)C)NC1
- Cas Id
- Ob Score
- Mol Logp
- 4.1387
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Solaplumbinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Solaplumbinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
solaplumbinine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044315
Npass
NPC71093
Tcmid
20049
Tcm Id
23923911
Pub Chem
6326058
Tcmbank
TCMBANKIN032048
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H53NO6/c1-17-8-13-33(34-16-17)18(2)26-25(40-33)15-24-22-7-6-20-14-21(39-29-19(3)38-30(37)28(36)27(29)35)9-11-31(20,4)23(22)10-12-32(24,26)5/h6,17-19,21-30,34-37H,7-16H2,1-5H3/t17-,18+,19+,21+,22-,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-/m1/s1
Mol Wt
559.7880000000001
Smiles
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(OC(C(C7O)O)O)C)C)C)C)NC1
Mol Log P
4.138700000000004
In Ch Ikey
VYHNQVWYSKZMIW-KSDMZOFFSA-N
Num Hdonors
4
Drug Likeness
0.378
Num Hacceptors
7
Isomeric Smiles
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@@H]7[C@@H](O[C@H]([C@@H]([C@@H]7O)O)O)C)C)C)C)NC1
Canonical Smiles
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(OC(C(C7O)O)O)C)C)C)C)NC1
Molecular Weight
0
Molecular Formula
C33H53NO6
Molecular Formula
C33H53NO6
Num Rotatable Bonds
2